[gmx-users] norleucine topology

merc mertens merc.mertens at gmx.net
Sun Aug 20 13:28:18 CEST 2006

dear list,

to get a topology for norleucine i combined parameters from LEU (N,CA,CB, plus H´s, C, O) and MET (CG, CE, plus H´s). to get CD and its H´s i took parameters from MET CG as well. finally i adjusted the charges of CG and CD to get a residue topology with zero charge. can it be that easy???


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