[gmx-users] TIP3P water
nedomacho at gmail.com
Fri Nov 30 00:44:35 CET 2018
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?
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