[gmx-users] conversion from amber (prmtop and inpcrd) to gromacs itp and gro

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Wed Nov 7 10:09:02 CET 2018


Use acpype

On Wed, Nov 7, 2018, 2:38 PM Rahma Dahmani <rahma.dahmani at fst.utm.tn> wrote:

> Hi Gromacs Users,
> I need to convert AMBER topology and coodinates files to GROMACS top and
> gro files , How can-I do that ?
> PS: I already tested a script on line (amb2gmx) but it didn't work ...
> https://github.com/choderalab/mmtools/blob/master/converters/amb2gmx.pl
>
> Can anyone help me please
> Thank you !
>
> --
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>
> *Rahma Dahmani Doctorante en CHIMIE Unité de Recherche: Physico-Chimie des
> Matériaux à l'état condensé, Laboratoire de Chimie Théorique et
> Spectroscopie MoléculaireUniversité de Tunis El Manar, Faculté des Sciences
> de Tunis Campus Universitaire Farhat Hached - BP n ° 94 - Rommana 1068,
> Tunisie Tél: (+216) 28151042*
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