Re: [AMBER] Prmtop for protein + 2 identical ligands has wrong dihedral parameters for the second ligand. LEaP bug?

From: Pengfei Li <>
Date: Fri, 20 Nov 2020 10:14:22 -0500

Hi Mariano,

I do not know the reason causing the additional torsion parameters when you use the first strategy. Can you send me a separate email to my email ( with the tleap input files (including the cited pdb, mol2, and frcmod files) for the first and second strategies? I can help to check.


> On Oct 26, 2020, at 5:18 AM, Mariano Curti <> wrote:
> on

AMBER mailing list
Received on Fri Nov 20 2020 - 07:30:03 PST
Custom Search