comparison test-data/posre_cl.itp @ 0:7b23265126b0 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
author chemteam
date Wed, 20 Nov 2019 11:12:39 -0500
parents
children bfb65cb551d8
comparison
equal deleted inserted replaced
-1:000000000000 0:7b23265126b0
1 ; position restraints for CL of LYSOZYME in water
2
3 [ position_restraints ]
4 ; i funct fcx fcy fcz
5 38369 1 500 600 700
6 38370 1 500 600 700
7 38371 1 500 600 700
8 38372 1 500 600 700
9 38373 1 500 600 700
10 38374 1 500 600 700
11 38375 1 500 600 700
12 38376 1 500 600 700