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

Qinghua Liao scorpio.liao at gmail.com
Wed Nov 7 10:22:11 CET 2018


You can also do it with parmed from Amber, here are the python commands:

import parmed as pmd

#convert prmtop and inpcrd into top and gro
amber = pmd.load_file('1N55_apo.prmtop','1N55_apo.inpcrd')

On 11/7/18 10:07 AM, Rahma Dahmani 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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