[gmx-users] (no subject)
antonia_haha at hotmail.com
Fri May 8 10:37:51 CEST 2009
I am trying to simulate a water-liquid crystal system. My initial is box is creating by merging two well equilibrated boxes of water and LC. After a steep simulation of about 1,000,000 steps I try to do an md simulation but I get the error
"Water molecule starting at atom 9103 can not be settled.
Check for bad contacts and/or reduce the timestep"
In order to get the simulation running I have to use a tiny timestep (0.00001).
Any ideas about how I can solve this problem?
Thanks in advance
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