hello everyone
i m trying to do a simulation of a complex containing a ligand aand the
protein using AMBER 9, my ligand has more than 100 atoms so the prep file i
m getting is quiet big , to generated the frc file i was using the parmchk
command available in antechamber module of amber 9 but it is showing error
"MAXIMUM LIMIT EXCEDED "
i know that max no of lines prep file can have is 139 and in my case it is
coming to 145 , there is a bug fix program available in the amber site for
this problem but i want to ask that recompiling the amber is the only way
or i can do something else to make that program work for me .
thanks in advance
Gurpreet singh
Dept of Biotechnology
IIT MADRAS
CHENNAI-36
INDIA
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Received on Wed Mar 07 2007 - 06:07:19 PST
