AMBER Archive (2008)

Subject: AMBER: query regarding energy minimization

From: Anamika Awasthi (aawasthi28_at_gmail.com)
Date: Mon Apr 28 2008 - 08:22:24 CDT

Dear Friends,
        I prepared input for energy minimization using LEAP, but not
getting, how should I do energy minimization.
        I found in tutorial that first I should do energy minimization of
only solvent and then after I should do for whole system and there is also
mention that I should prepare one minimization file as input for SANDER, but
the problem is this I am not getting the meaning of all the terms, Altough I
tried to understand, but still fail to understand the what is the criteria
to give RES 1 155
imin=1, maxcyc=200,
 ntpr=5,
 ntr=1,
 &end
Group input for restrained atoms
100.0
RES 1 155
END
END

Thanks in advance 

-- 
Anamika Awasthi

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