Depends what the problem really is. See strategies at
http://www.gromacs.org/Documentation/Terminology/Blowing_Up
Mark
On Thu, Aug 28, 2014 at 9:35 AM, Lovika Moudgil lovikamoud...@gmail.com
wrote:
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
Lovika
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