[gmx-users] Patch for the Acetylated caps
mark.j.abraham at gmail.com
Sat Jul 14 14:59:13 CEST 2018
Residues for those are present in the type database in some force fields,
but there's no ability for GROMACS to build the atoms on for you.
On Sat, Jul 14, 2018, 00:22 Shreyas Kaptan <shreyaskaptan at gmail.com> wrote:
> Dear All,
> I am curious if there exists a patch for the acetylated termini (ACE/CT3)
> as provided by the charmm-gui for, gromacs.
> I would be grateful if someone has a systematic solution to adding these
> for pdb2gmx.
> Shreyas Sanjay Kaptan
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