[gmx-users] hydrogen atom parameter definition for charmm 36
scinikhil at gmail.com
Sat Apr 9 17:44:37 CEST 2016
i am following this method
so when i run the script it has to generate gro file for all the 1000
pdb's (100ns MD) , inserting *.itp and *.prm files will take lots of time
for each steps ;) ,i dont have knowledge in perl or python to make a
script for this .
could you please suggest me any method for this ?!
More information about the gromacs.org_gmx-users