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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Received on Sat Jan 27 2018 - 23:00:02 PST
