annotate test-data/posres.itp @ 0:7b23265126b0 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"

; In this topology include file, you will find position restraint
; entries for all the heavy atoms in your original pdb file.
; This means that all the protons which were added by pdb2gmx are
; not restrained.

[ position_restraints ]
; atom  type      fx      fy      fz
     1     1  1000  1000  1000
     5     1  1000  1000  1000
     7     1  1000  1000  1000
    10     1  1000  1000  1000
    13     1  1000  1000  1000
    16     1  1000  1000  1000
    19     1  1000  1000  1000
    23     1  1000  1000  1000
    24     1  1000  1000  1000
    25     1  1000  1000  1000
    27     1  1000  1000  1000
    29     1  1000  1000  1000
    31     1  1000  1000  1000
    35     1  1000  1000  1000
    39     1  1000  1000  1000
    40     1  1000  1000  1000
    41     1  1000  1000  1000
    43     1  1000  1000  1000
    45     1  1000  1000  1000
    48     1  1000  1000  1000
    49     1  1000  1000  1000
    51     1  1000  1000  1000
    53     1  1000  1000  1000
    55     1  1000  1000  1000
    57     1  1000  1000  1000
    59     1  1000  1000  1000
    60     1  1000  1000  1000
    61     1  1000  1000  1000
    63     1  1000  1000  1000
    66     1  1000  1000  1000
    67     1  1000  1000  1000
    68     1  1000  1000  1000
    70     1  1000  1000  1000
    72     1  1000  1000  1000
    75     1  1000  1000  1000
    78     1  1000  1000  1000
    81     1  1000  1000  1000
    83     1  1000  1000  1000
    84     1  1000  1000  1000
    87     1  1000  1000  1000
    90     1  1000  1000  1000
    91     1  1000  1000  1000
    92     1  1000  1000  1000
    94     1  1000  1000  1000
    96     1  1000  1000  1000
    99     1  1000  1000  1000
   100     1  1000  1000  1000
   101     1  1000  1000  1000
   102     1  1000  1000  1000
   104     1  1000  1000  1000
   106     1  1000  1000  1000
   109     1  1000  1000  1000
   112     1  1000  1000  1000
   113     1  1000  1000  1000
   114     1  1000  1000  1000
   115     1  1000  1000  1000
   116     1  1000  1000  1000
   117     1  1000  1000  1000
   119     1  1000  1000  1000
   121     1  1000  1000  1000
   124     1  1000  1000  1000
   126     1  1000  1000  1000
   130     1  1000  1000  1000
   134     1  1000  1000  1000
   135     1  1000  1000  1000
   136     1  1000  1000  1000
   138     1  1000  1000  1000
   140     1  1000  1000  1000
   144     1  1000  1000  1000
   145     1  1000  1000  1000
   146     1  1000  1000  1000
   148     1  1000  1000  1000
   150     1  1000  1000  1000
   154     1  1000  1000  1000
   155     1  1000  1000  1000
   156     1  1000  1000  1000
   158     1  1000  1000  1000
   160     1  1000  1000  1000
   164     1  1000  1000  1000
   165     1  1000  1000  1000
   166     1  1000  1000  1000
   168     1  1000  1000  1000
   170     1  1000  1000  1000
   173     1  1000  1000  1000
   176     1  1000  1000  1000
   177     1  1000  1000  1000
   181     1  1000  1000  1000
   182     1  1000  1000  1000
   183     1  1000  1000  1000
   185     1  1000  1000  1000
   187     1  1000  1000  1000
   190     1  1000  1000  1000
   193     1  1000  1000  1000
   196     1  1000  1000  1000
   199     1  1000  1000  1000
   203     1  1000  1000  1000
   204     1  1000  1000  1000
   205     1  1000  1000  1000
   207     1  1000  1000  1000
   209     1  1000  1000  1000
   212     1  1000  1000  1000
   215     1  1000  1000  1000
   218     1  1000  1000  1000
   220     1  1000  1000  1000
   221     1  1000  1000  1000
   224     1  1000  1000  1000
   227     1  1000  1000  1000
   228     1  1000  1000  1000
   229     1  1000  1000  1000
   231     1  1000  1000  1000
   233     1  1000  1000  1000
   236     1  1000  1000  1000
   237     1  1000  1000  1000
   238     1  1000  1000  1000
   240     1  1000  1000  1000
   242     1  1000  1000  1000
   244     1  1000  1000  1000
   245     1  1000  1000  1000
   246     1  1000  1000  1000
   248     1  1000  1000  1000
   251     1  1000  1000  1000
   252     1  1000  1000  1000
   253     1  1000  1000  1000
   255     1  1000  1000  1000
   257     1  1000  1000  1000
   260     1  1000  1000  1000
   262     1  1000  1000  1000
   266     1  1000  1000  1000
   270     1  1000  1000  1000
   271     1  1000  1000  1000
   272     1  1000  1000  1000
   274     1  1000  1000  1000
   276     1  1000  1000  1000
   279     1  1000  1000  1000
   280     1  1000  1000  1000
   281     1  1000  1000  1000
   282     1  1000  1000  1000
   283     1  1000  1000  1000
   284     1  1000  1000  1000
   286     1  1000  1000  1000
   288     1  1000  1000  1000
   291     1  1000  1000  1000
   292     1  1000  1000  1000
   293     1  1000  1000  1000
   296     1  1000  1000  1000
   297     1  1000  1000  1000
   298     1  1000  1000  1000
   300     1  1000  1000  1000
   302     1  1000  1000  1000
   305     1  1000  1000  1000
   306     1  1000  1000  1000
   308     1  1000  1000  1000
   310     1  1000  1000  1000
   312     1  1000  1000  1000
   314     1  1000  1000  1000
   315     1  1000  1000  1000
   317     1  1000  1000  1000
   318     1  1000  1000  1000
   319     1  1000  1000  1000
   321     1  1000  1000  1000
   323     1  1000  1000  1000
   326     1  1000  1000  1000
   329     1  1000  1000  1000
   332     1  1000  1000  1000
   334     1  1000  1000  1000
   335     1  1000  1000  1000
   338     1  1000  1000  1000
   341     1  1000  1000  1000
   342     1  1000  1000  1000
   343     1  1000  1000  1000
   345     1  1000  1000  1000
   348     1  1000  1000  1000
   349     1  1000  1000  1000
   350     1  1000  1000  1000
   352     1  1000  1000  1000
   354     1  1000  1000  1000
   357     1  1000  1000  1000
   358     1  1000  1000  1000
   360     1  1000  1000  1000
   362     1  1000  1000  1000
   364     1  1000  1000  1000
   366     1  1000  1000  1000
   367     1  1000  1000  1000
   369     1  1000  1000  1000
   370     1  1000  1000  1000
   371     1  1000  1000  1000
   373     1  1000  1000  1000
   375     1  1000  1000  1000
   378     1  1000  1000  1000
   380     1  1000  1000  1000
   381     1  1000  1000  1000
   382     1  1000  1000  1000
   384     1  1000  1000  1000
   386     1  1000  1000  1000
   389     1  1000  1000  1000
   391     1  1000  1000  1000
   395     1  1000  1000  1000
   399     1  1000  1000  1000
   400     1  1000  1000  1000
   401     1  1000  1000  1000
   403     1  1000  1000  1000
   406     1  1000  1000  1000
   407     1  1000  1000  1000
   408     1  1000  1000  1000
   410     1  1000  1000  1000
   412     1  1000  1000  1000
   415     1  1000  1000  1000
   416     1  1000  1000  1000
   417     1  1000  1000  1000
   420     1  1000  1000  1000
   421     1  1000  1000  1000
   422     1  1000  1000  1000
   424     1  1000  1000  1000
   426     1  1000  1000  1000
   429     1  1000  1000  1000
   430     1  1000  1000  1000
   432     1  1000  1000  1000
   433     1  1000  1000  1000
   435     1  1000  1000  1000
   436     1  1000  1000  1000
   438     1  1000  1000  1000
   440     1  1000  1000  1000
   442     1  1000  1000  1000
   444     1  1000  1000  1000
   445     1  1000  1000  1000
   446     1  1000  1000  1000
   448     1  1000  1000  1000
   450     1  1000  1000  1000
   452     1  1000  1000  1000
   456     1  1000  1000  1000
   460     1  1000  1000  1000
   461     1  1000  1000  1000
   462     1  1000  1000  1000
   464     1  1000  1000  1000
   466     1  1000  1000  1000
   469     1  1000  1000  1000
   470     1  1000  1000  1000
   471     1  1000  1000  1000
   472     1  1000  1000  1000
   474     1  1000  1000  1000
   476     1  1000  1000  1000
   480     1  1000  1000  1000
   481     1  1000  1000  1000
   482     1  1000  1000  1000
   484     1  1000  1000  1000
   486     1  1000  1000  1000
   490     1  1000  1000  1000
   491     1  1000  1000  1000
   492     1  1000  1000  1000
   494     1  1000  1000  1000
   496     1  1000  1000  1000
   499     1  1000  1000  1000
   502     1  1000  1000  1000
   505     1  1000  1000  1000
   508     1  1000  1000  1000
   512     1  1000  1000  1000
   513     1  1000  1000  1000
   514     1  1000  1000  1000
   516     1  1000  1000  1000
   518     1  1000  1000  1000
   521     1  1000  1000  1000
   522     1  1000  1000  1000
   524     1  1000  1000  1000
   526     1  1000  1000  1000
   528     1  1000  1000  1000
   530     1  1000  1000  1000
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   534     1  1000  1000  1000
   536     1  1000  1000  1000
   538     1  1000  1000  1000
   541     1  1000  1000  1000
   544     1  1000  1000  1000
   545     1  1000  1000  1000
   546     1  1000  1000  1000
   547     1  1000  1000  1000
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   551     1  1000  1000  1000
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   564     1  1000  1000  1000
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   569     1  1000  1000  1000
   572     1  1000  1000  1000
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   576     1  1000  1000  1000
   578     1  1000  1000  1000
   581     1  1000  1000  1000
   582     1  1000  1000  1000
   584     1  1000  1000  1000
   586     1  1000  1000  1000
   588     1  1000  1000  1000
   590     1  1000  1000  1000
   592     1  1000  1000  1000
   593     1  1000  1000  1000
   594     1  1000  1000  1000
   596     1  1000  1000  1000
   598     1  1000  1000  1000
   601     1  1000  1000  1000
   602     1  1000  1000  1000
   603     1  1000  1000  1000
   606     1  1000  1000  1000
   607     1  1000  1000  1000
   608     1  1000  1000  1000
   610     1  1000  1000  1000
   612     1  1000  1000  1000
   614     1  1000  1000  1000
   616     1  1000  1000  1000
   620     1  1000  1000  1000
   621     1  1000  1000  1000
   622     1  1000  1000  1000
   624     1  1000  1000  1000
   626     1  1000  1000  1000
   629     1  1000  1000  1000
   632     1  1000  1000  1000
   633     1  1000  1000  1000
   634     1  1000  1000  1000
   637     1  1000  1000  1000
   638     1  1000  1000  1000
   639     1  1000  1000  1000
   641     1  1000  1000  1000
   643     1  1000  1000  1000
   647     1  1000  1000  1000
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   651     1  1000  1000  1000
   653     1  1000  1000  1000
   655     1  1000  1000  1000
   657     1  1000  1000  1000
   661     1  1000  1000  1000
   662     1  1000  1000  1000
   663     1  1000  1000  1000
   665     1  1000  1000  1000
   667     1  1000  1000  1000
   670     1  1000  1000  1000
   671     1  1000  1000  1000
   672     1  1000  1000  1000
   675     1  1000  1000  1000
   676     1  1000  1000  1000
   677     1  1000  1000  1000
   679     1  1000  1000  1000
   681     1  1000  1000  1000
   684     1  1000  1000  1000
   687     1  1000  1000  1000
   690     1  1000  1000  1000
   692     1  1000  1000  1000
   693     1  1000  1000  1000
   696     1  1000  1000  1000
   699     1  1000  1000  1000
   700     1  1000  1000  1000
   701     1  1000  1000  1000
   703     1  1000  1000  1000
   705     1  1000  1000  1000
   708     1  1000  1000  1000
   709     1  1000  1000  1000
   710     1  1000  1000  1000
   713     1  1000  1000  1000
   714     1  1000  1000  1000
   715     1  1000  1000  1000
   717     1  1000  1000  1000
   719     1  1000  1000  1000
   721     1  1000  1000  1000
   723     1  1000  1000  1000
   727     1  1000  1000  1000
   728     1  1000  1000  1000
   729     1  1000  1000  1000
   731     1  1000  1000  1000
   733     1  1000  1000  1000
   736     1  1000  1000  1000
   737     1  1000  1000  1000
   738     1  1000  1000  1000
   739     1  1000  1000  1000
   740     1  1000  1000  1000
   741     1  1000  1000  1000
   743     1  1000  1000  1000
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   750     1  1000  1000  1000
   752     1  1000  1000  1000
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   780     1  1000  1000  1000
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   832     1  1000  1000  1000
   834     1  1000  1000  1000
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   839     1  1000  1000  1000
   841     1  1000  1000  1000
   845     1  1000  1000  1000
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   850     1  1000  1000  1000
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   853     1  1000  1000  1000
   855     1  1000  1000  1000
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  1196     1  1000  1000  1000
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  1198     1  1000  1000  1000
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  1203     1  1000  1000  1000
  1206     1  1000  1000  1000
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  1210     1  1000  1000  1000
  1211     1  1000  1000  1000
  1213     1  1000  1000  1000
  1215     1  1000  1000  1000
  1218     1  1000  1000  1000
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  1220     1  1000  1000  1000
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