[gmx-users] water not getting settle
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
More information about the gromacs.org_gmx-users