Mercurial > repos > chemteam > gmx_editconf

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

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"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
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posre_cl.itp	Wed Nov 20 11:12:39 2019 -0500
@@ -0,0 +1,12 @@
+; position restraints for CL of LYSOZYME in water
+
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+38369    1        500        600        700
+38370    1        500        600        700
+38371    1        500        600        700
+38372    1        500        600        700
+38373    1        500        600        700
+38374    1        500        600        700
+38375    1        500        600        700
+38376    1        500        600        700