Hi Kellon,
It worked. I did try parmchk2 with -p gaff2.dat and gave me the same error
but -s 2 printed parameters from gaff2.
Thank you very much!
Best,
Yuliana
On Sat, Jan 27, 2018 at 10:37 PM, Kellon Belfon <kellonbelfon.gmail.com>
wrote:
> Hi Yuliana,
>
> Have you tried using parmchk2 with -s 2 (parmchk2 -i igp.prepc -f prepc -o
> igp.frcmod -s 2) ?
>
> I think parmchk2 (instead of parmchk) is the latest version. -s 2 uses
> gaff2 parmset.
>
> Regards,
>
> Kellon
>
> On Sat, Jan 27, 2018 at 11:18 PM, Yuliana Bosken <ydavi002.ucr.edu> wrote:
>
> > Hi,
> > I wanted to test gaff2 for my ligand but I am getting the following
> error.
> > I run:
> > parmchk -i igp.prepc -f prepc -o igp.frcmod -p gaff2.dat
> > And it returns:
> > Cannot open file gaff2.dat in readparm(), exit
> >
> > Recently installed Amber16, si I am not sure if I have installed all
> > AmberTools updates.
> > Thanks
> > Yuliana
> >
> > --
> > Yuliana Bosken
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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--
Yuliana Bosken
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Received on Sun Jan 28 2018 - 05:30:03 PST
