Jason Swails <jason.swails.gmail.com> wrote:
>
> I don't think leap can do what you want it to do (at least not easily). The
> PBRadii are actually never stored but actually determined when the topology
> file is written.
PBRadii is different from what I wish I could remember .. maybe it was
charges? There was a 'set' arg for it.
If it's charges, it wouldn't be hard to program a similar case for
radii.
Bill
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 29 2013 - 16:30:03 PDT
