Maybe the system is exploding? Have you looked at the movie? And I agree with you that it might be unrealistic to do simulation at 600K using a force-field which was parametrized at 300K. Omer.
On Thu, Nov 26, 2009 at 05:56, Neha Bharat Gajaria <n.gandh...@gmail.com>wrote: > > Dear List, > > I m trying to run an NPT simulation at 600K which looks unrealistic. I m > running minimization followed by anealing and then NPT simulation (mdp files > are attached). The job keeps running but after 162 ps, the CPU usage > gradually decreases to 26% without any further output. Your help is very > much appreciated. >
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