Mercurial > repos > chemteam > gmx_setup

comparison test-data/posre_cl.itp @ 12:4da9ee404eab 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 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 13:03:07 -0400
parents c7bcae9fe040
children
comparison
equal deleted inserted replaced
11:8b2553f4f114 12:4da9ee404eab
1 ; position restraints for CL of LYSOZYME in water
2 1
3 [ position_restraints ] 2 [ position_restraints ]
4 ; i funct fcx fcy fcz 3 ; i funct fcx fcy fcz
5 38369 1 500 600 700 4 93 1 500 600 700
6 38370 1 500 600 700 5 94 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