[gmx-users] polarizable MARTINI water
Tsjerk Wassenaar
tsjerkw at gmail.com
Tue Jul 8 09:44:37 CEST 2014
Hi Katie,
How did you build your starting structure?
What may work is to start with normal water and after a short equilibration
replace it with PW.
Cheers,
Tsjerk
On Jul 8, 2014 9:08 AM, "Katie Maerzke" <maerzkek at gmail.com> wrote:
> Anybody have any experience with polarizable MARTINI water? I am having
> trouble getting the energy minimization to work consistently. I've tried
> all the suggestions from the MARTINI website.
>
> Thanks
> Katie
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