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AMBER Archive (2003)Subject: AMBER: minimization termination
From: sd233_at_georgetown.edu
Dear ALL:
I was trying to do minimization of a given protein.
INPUT:
&cntrl
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NSTEP ENERGY RMS GMAX NAME NUMBER
BOND = 138.0445 ANGLE = 643.6408 DIHED =
.... RESTARTED DUE TO LINMIN FAILURE ...
FINAL RESULTS
NSTEP ENERGY RMS GMAX NAME
BOND = 138.0445 ANGLE = 643.6408 DIHED =
***** REPEATED LINMIN FAILURE *****
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Thanks
D.Sivanesan, Ph.D.
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