comparison test-data/posre_cl.itp @ 0:bb0053c4e4f2 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 03127e495a0a1a022928c1a03527974c9e81b5a1"
author chemteam
date Tue, 21 Jan 2020 07:29:43 -0500
parents
children 9363254ef848
comparison
equal deleted inserted replaced
-1:000000000000 0:bb0053c4e4f2
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