From: Wei Chen (gtg553p_at_mail.gatech.edu)
Date: Fri Nov 11 2005 - 11:28:20 CST
Based on my understanding, you can do minimization. Because what you need are
configuration samples under certain lambuda. Keep the same condition (T,P,
lambuda) when you get samples. If I am wrong, anybody corrects me, please.
Quoting Raul Araya Secchi <arayasecchi_at_hotmail.com>:
> Hello NAMD Users....
> Im wondering if anybody knows if one can set up an alchemical FEP
> calculation with a minimization step prior to the equilibration and
> production stage?
> Please help....
> MSN Amor: busca tu ½ naranja http://latam.msn.com/amor/
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