[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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