[gmx-users] parameterization of N atom type if ffgmx
yakovenko_a at ukr.net
Sun Oct 13 15:55:08 CEST 2002
Do you know anything about correct parameterization of N atom type if ffgmx force field?
I work with protein - ligand complexes and found effective H-bonding of peptide N atom of protein. But N peptide atom is not good for H-bonding in case presence pseudo double bond with CO group with previous residue in protein.
Is this a gromacs error ?
Institute of Molecular Biology & Genetic of NAS of Ukraine
acad.Zabolotnogo str. 150
E-mail: yakovenko_a at ukr.net
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