AMBER Archive (2005)

Subject: RE: AMBER: temperature keep increasing in high temp.

• Previous message: Pratul K. Agarwal: "AMBER: Failed sander runs for large systems"
• In reply to: Hwankyu Lee: "AMBER: temperature keep increasing in high temp."
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Just curious, do you have anything special in the system (i.e., is this just
plain protein/DNA in water)? The bond energy increased considerably before
the crash.

yong
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Subject: AMBER: temperature keep increasing in high temp.

Dear Amber-users,

I'm trying simulations with high temperature (363K), but after 82ps, the
temperature suddenly

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• Previous message: Pratul K. Agarwal: "AMBER: Failed sander runs for large systems"
• In reply to: Hwankyu Lee: "AMBER: temperature keep increasing in high temp."
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]