Hi,
In Amber10, the way to extract energies from a MD trajectory is to specify
imin=5 and maxcyc=1 in the input file. However, a "minimized" but identical
trajectory file is generated which seems unnecessary to me. Is there a way
to analyze without producing any huge trajectory file?
Dian
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Received on Mon May 03 2010 - 14:00:05 PDT
