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

[Mark Abraham]

Hi,

They are presumably looked up from the parameters found normally in the
force field files.

Mark

On Wed, Jan 3, 2018 at 6:22 PM MD <refmac5 at gmail.com> wrote:

> 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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