[gmx-users] TIP3P water

Alex nedomacho at gmail.com
Fri Nov 30 00:44:35 CET 2018

Hi all,

We normally use TIP4P water for our work, but need to test TIP3P.
Everything is scripted, so I did minimal changes that hopefully follow

In the topology, we are including tip3p.itp
In the run script, we are solvating with -cs spc216.gro

pdb2gmx is not used at any point, i.e. we already have a topology for the
vacuum portion of the system and the only thing that's being added is
water + ions.

Is this sufficient?

Thank you,


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