Perhaps
antechamber resid.pdb -> resid.prep
parmchk resid.prep -> frcmod
prep2xml *-resid.prep -> resid.xml
frcmod2xml frcmod -> frcmod.xml
unless experts can suggests something better.
thanks
fp
On Sun, Dec 7, 2014 at 6:41 PM, Francesco Pietra <chiendarret.gmail.com>
wrote:
> Hi:
>
> I grepped with no success /leap/parm and /mtkpp/xml file in search of
> acetate residue. This is intended for implementation into mtkpp xml files,
> thus 94 charges. Thanks for advice
>
> francesco pietra
>
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Received on Sun Dec 07 2014 - 14:00:02 PST
