[gmx-users] TIP4P/ice pdb file
chris.neale at alum.utoronto.ca
Wed Jul 5 21:55:07 CEST 2017
I believe that you can use any 4-point water model .gro for any 4-point water topology (or likewise for 3-point water models). Did you try it yet? If so, what problem are you running into specifically?
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of G R <golnaz.chem at gmail.com>
Sent: 05 July 2017 14:57:26
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] TIP4P/ice pdb file
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?
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