Mercurial > repos > chemteam > gmx_setup
comparison test-data/posre_cl.itp @ 6:c7bcae9fe040 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
author | chemteam |
---|---|
date | Wed, 20 Nov 2019 11:16:14 -0500 |
parents | |
children | 4da9ee404eab |
comparison
equal
deleted
inserted
replaced
5:35b314fe6c90 | 6:c7bcae9fe040 |
---|---|
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 |