[gmx-users] Simulation at unrealistic temperatures

[Neha Bharat Gajaria]

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.

Regards,
Neha Gandhi Gajaria,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
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