[gmx-users] Model of water

Shima Arasteh shima_arasteh2001 at yahoo.com
Sat Oct 6 10:24:02 CEST 2012

I tried to use genbox, but there is not tip3p.gro in GROMACS package, so spc216.gro is recommended to be used. I want to know what exactly I need to do to get the popc in water with tip3p model of water?

Thanks in advance.


----- Original Message -----
From: Shima Arasteh <shima_arasteh2001 at yahoo.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Saturday, October 6, 2012 11:28 AM
Subject: [gmx-users] Model of water


I got a link sent me by Peter Lai to simulate POPC in water: http://uab.hyperfine.info/~pcl/files/popc36/
He used TIP3SP, as it is apparent in its top file. I want to use simulate my own system of POPC in water with tip3p model of water? Is it possible to use its Peter's top and itp files? 

Please help me

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