hello,gmx-users，
i am trying to simulate a peptide with residue HIS, the default in
pdb2gmx used HISB for HIS in both oplsaa and gromos96 force field, but i found
there are HIS1,HISH,HISB etc in the rtp files, i am not sure whether HISB will
suffice for my system, i intend to simulate the binding of surfactants with the
peptide.
what are the difference?
is there anywhere i can find the detailed description for these
residues?
Rongliang Wu
[EMAIL PROTECTED]
2007-04-11
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