[gmx-users] BHIS for HIS?

Rongliang Wu wurl04 at iccas.ac.cn
Wed Apr 11 04:00:14 CEST 2007

	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
        wurl04 at iccas.ac.cn

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