> 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?
Are you sure it does this with ntwx not set?
If it does, you could use /dev/null as your crd output.
Bill
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Received on Mon May 03 2010 - 14:00:07 PDT
