[gmx-users] water not getting settle
mark.j.abraham at gmail.com
Thu Aug 28 11:13:43 CEST 2014
Depends what the problem really is. See strategies at
On Thu, Aug 28, 2014 at 9:35 AM, Lovika Moudgil <lovikamoudgil at gmail.com>
> Hi everyone ,
> I am getting an error about water i.e
> step 168: Water molecule starting at atom 5226 can not be settled.
> Check for bad contacts and/or reduce the timestep if appropriate.
> I have already tried reducing timestep ..but it didn't worked . If I freeze
> water things work fine . But what if I do not want to freeze it !! What is
> the other way to get it settled ?
> Thanks and Regards
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