[gmx-users] water not getting settle

Lovika Moudgil lovikamoudgil at gmail.com
Thu Aug 28 09:35:07 CEST 2014

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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