[gmx-users] *.pdb file for the Tip4p/ice model

Christopher Neale chris.neale at alum.utoronto.ca
Wed Mar 30 20:09:42 CEST 2016

Need it for what? To solvate a solute with genbox or for some other sytem setup needs? Common protocol would be to simply use tip4p.gro and then to equilibrate it with the new tip4p/ice parameters. tip4p.gro is in share/gromacs/top/


From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Sheelan Sengupta <s.sengupta at ncl.res.in>
Sent: 30 March 2016 05:45
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] *.pdb file for the Tip4p/ice model

need the *.pdb file of Tip4p/ice model. Please help.

Sheelan S C
Phys Chem Div



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