[gmx-users] water not getting settle

2014-08-28 Thread Lovika Moudgil
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

Re: [gmx-users] water not getting settle

2014-08-28 Thread Mark Abraham
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