Dear all,
I am interested in molecular dynamics simulation with small molecule and
protein to explore selectivity mechanism. But unfortunately I have
encountered some problem and I need help.
1). The ligand I am using, contains Benzene sulfonamide group.
2). I found that Amber force field parameters for this particular group are
missing.
3). I tried to use prmcheck in order to use default force field but the
results were not satisfactory.
4). During my search on google I got prmtop file at the following link (
http://archive.ambermd.org/200806/0257.html)but I don’t know how to
transfer these parameters to forcmod.
So I need help to get the force field file for this group (Benzene
sulfonamide). I will be grateful for this favor.
--
*Regards,*
*Tahir Ali Chohan*
*B.Pharm., M.Phil (Pharm. Chem.)*
*PhD Scholar*
*College of Pharmaceutical Sciences*
*Zhejiang University, Hangzhou, China.*
*Cell # 0086-13018996850*
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Received on Thu Jul 25 2013 - 10:30:02 PDT
