[gmx-users] polarizable MARTINI water
Katie Maerzke
maerzkek at gmail.com
Tue Jul 8 17:34:37 CEST 2014
I'll give it a try.
Thanks
Katie
On Jul 8, 2014, at 1:44 AM, Tsjerk Wassenaar wrote:
> 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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