On Fri, 25 Nov 2016 11:15:41 +0100
Sonia Romero <sromerte11.gmail.com> wrote:
> I tried to do this from the mol2 file extracted from xleap after the
> modifications,
>
> parmchk2 -i UGN_mod_leap.mol2 -f mol2 -o UGN_mod_leap.frcmod -p
> $AMBERHOME/dat/leap/parm/GLYCAM_06j.dat
>
> the result was
>
> Atom type of Cg does not shown up in PARMCHK.DAT
I suppose you are using AmberTools 16. For some reason the -p switch
is ignored in the newest version.
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Received on Fri Nov 25 2016 - 03:30:03 PST
