comparison test-data/posre_cl.itp @ 6:d9eb276dfa32 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 12:59:41 -0400
parents 48dcca6f45ce
children
comparison
equal deleted inserted replaced
5:c119d1b9941b 6:d9eb276dfa32
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