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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Received on Wed Apr 30 2008 - 06:07:24 PDT
