[gmx-users] Amber to Gromacs conversion

[Chetan Mahajan]

THis looks interesting, However, any version is giving following error on
test mentioned in README:

../acpype.py -i FFF.pdb
  File "../acpype.py", line 1231
    with open(pklFile, "wb") as f:  # for python 2.6 or higher
            ^
SyntaxError: invalid syntax

Unfortunately, I do not know python.

Thanks


On Tue, Dec 3, 2013 at 12:01 PM, Barnett, James W. <jbarnet4 at tulane.edu>wrote:

> On 12/03/2013 11:45 AM, Chetan Mahajan wrote:
> > are there other tools to convert Amber input files
> > into the ones for Gromacs?
>
> I've had success with acpype:
> https://code.google.com/p/acpype/
>
> Use the "amb2gmx" mode:
>
> acpype -p _prmtop_ -x _inpcrd_
>
> --
> Wes Barnett | jbarnet4 at tulane.edu
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