Re: [AMBER] psf from parmed

From: Pengfei Li <>
Date: Tue, 12 Jun 2018 16:02:01 -0400

Dear Stefano,

CHARMM can mean a force field or a software package. Please clarify your question.

You want to build psf file with CHARMM force field for using in the CHARMM software package? If so, there is no need to use parmed, because this will be redundant, the straightforward way is to build this psf file though using CHARMM.

What I understand is that you want to build a psf file using the AMBER force field through parmed software and the AMBER topology and coordinate files, and then use the psf file in the CHARMM software package for simulations. Is that right?


> On Jun 7, 2018, at 7:56 PM, Stefano Guglielmo <> wrote:
> Dear amber users,
> I would like to know if a psf file generated with parmed from a prmtop file
> can be used for a simulation with charmm force field (for example in CHARMM
> or NAMD) and, if this is the case, with which among the charmm force fields.
> Thanks in advance
> Stefano
> --
> Assistant Professor of Medicinal Chemistry
> Department of Drug Science and Technology
> Via P. Giuria 9
> 10125 Turin, ITALY
> ph. +39 (0)11 6707178
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Received on Tue Jun 12 2018 - 13:30:02 PDT
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