Also acpype should work..
Il 11/Ott/2016 19:52, "David A Case" <david.case.rutgers.edu> ha scritto:
> On Tue, Oct 11, 2016, shahab shariati wrote:
> >
> > I want to convert prmtop and inpcrd file (created using antechamber) to
> > gromacs files using amb2gmx.pl.
> >
> > When I use command:./amb2gmx.pl --prmtop lig.prmtop -crd lig.inpcrd
> > -outname lig, I encontered with:
>
> > sh: rdparm: command not found
>
> The amb2gmx.pl script (which is not a part of Amber) expects to find a
> program
> called "rdparm". The latter used to be a part of Amber, but is no longer
> distributed.
>
> The best thing to do is to contact the authors of this script (Gromacs
> team?)
> and see if they have an updated version.
>
> Less good, but might work: you can cd to $AMBERHOME/AmberTools/src/ptraj
> and
> type "make install"; this will put rdparm into $AMBERHOME/bin. It that is
> in
> your PATH, then the amb2gmx script might work.
>
> ....dac
>
>
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Received on Tue Oct 11 2016 - 11:30:03 PDT
