Possibly your water is boiling? YOu could try with NVT.
Neha Bharat Gajaria 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.
Regards,
Neha Gandhi Gajaria,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
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---------------------------------------------------
Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755
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