Hello,
I am trying to plot the energy vs time of a peptide during a MD
simulation. Since I want the energy of the peptide without solvent, I
strip the water molecules using ptraj. I'm not sure how to then obtain
the energy. I'm wondering if I should input the mdcrd file into sander
using the imin=5 option?
Any help would be appreciated
Regards
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Received on Fri Feb 27 2009 - 01:17:53 PST
