On Thu, Apr 12, 2012, Jason Swails wrote:
>
> >
> > Note that you could avoid this whole issue of where the group input should
> > be by
> > using restraint_wt and restraintmask in the &cntrl namelist. (But this was
> > only been implemented in pmemd in Amber11 and later: this is one of many
> > reasons to consider upgrading to Amber12.)
> >
>
> I think it's actually only in pmemd 12, unless it crept into one of the
> feature upgrades for pmemd.cuda (even more reason to upgrade to 12 :)).
My bad: pmemd11 still requires group input cards.....dac
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Received on Thu Apr 12 2012 - 08:00:04 PDT
