[gmx-users] ligand itp file doesn't have dihedral angles that including H atom

MD refmac5 at gmail.com
Wed Jan 3 18:22:26 CET 2018


Hi Gromacs folks,

I noticed the topology file of ligand from atb site doesn't have dihedral
angles that include H. Do you know how to create a itp file that has
hydrogen included dihedral parameters?

Thanks,

Ming


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