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AMBER Archive (2007)Subject: AMBER: vlimit exceeded, polarizable force field
From: Denis Courtier (amber982_at_gmail.com)
Hello everybody.
I am trying to run a polarizable force field, ff02pol.r1.
But, I got an error. Now, it is in md step. The error in my output file is:
vlimit exceeded for step 5; vmax = 36.3511
Coordinate resetting (SHAKE) cannot be accomplished,
Note: This is usually a symptom of some deeper
My input files, for minimization and md, are:
Initial min-n
300K constant temp MD
Can anybody help me? How can i control vlimit? Where is the origin of my
Thank you in advance.
Denis.
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