[gmx-users] TIP4P/ice pdb file
G R
golnaz.chem at gmail.com
Wed Jul 5 20:57:32 CEST 2017
Dear All,
I would like to simulate water using TIP4P/ice potential. My question is
that how can I generate .gro file for this simulation?
I will use TIP4P/ice topology that is available in SklogWiki, but I cannot
understand how can I generate .gro file for this topology. Can I easily use
TIP4P.gro that is available in share/top? If yes, how can I modify
TIP4P.gro file to use with TIP4P/ice potential?
Best regards,
Golnaz
More information about the gromacs.org_gmx-users
mailing list