AMBER Archive (2005)

Subject: AMBER: Free energy

From: Maciej (makay22_at_wp.pl)
Date: Tue Apr 26 2005 - 02:01:16 CDT

I work in Amber8 and I have a problem with tutorial: Valine to Alanine Free Energy determination. All goes out in example so as. How comes to Step 3: Free Energy Sampling with gibbs Sander does not read input in.gibbsF. How to change this input to Sander and count free energy?

I thank for help.

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