Re: [AMBER] acetate params for mtkpp

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 7 Dec 2014 22:18:27 -0500

> On Dec 7, 2014, at 4:47 PM, Francesco Pietra <chiendarret.gmail.com> wrote:
>
> 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.

That’s what I would do. In fact, that’s why I think those programs are there in the first place.

All the best,
Jason

--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Dec 07 2014 - 19:30:03 PST
Custom Search