Dear Amber Users,
Since ANAL module in Amber 8 and early version could be used to calculate interaction energy with very short MD trajectories, is there any new version or some upgraded modules with such application? MMPBSA could be used in equilibrium MD, how about the short MD? I just want to estimate the interaction energy to select the initial docked structures.
Please suggest some tools.
Thanks all,
Janker Xu
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Received on Tue Sep 06 2011 - 01:30:03 PDT
