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AMBER Archive (2003)Subject: some questions in gibbs calculation
From: Xiang, Tian-Xiang (txian2_at_email.uky.edu)
1. How the setting of "intprt" affect the free energy perturbation results? Is it matter?
2. The first 38 atoms in my system is a solute while the rest is solvents. Should I set ISOLVP = 38 (along with NTT
Thanks
T.X. Xiang
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