On Thu, Apr 12, 2012 at 8:45 AM, David A Case <case.biomaps.rutgers.edu>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 :)).
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Apr 12 2012 - 06:00:06 PDT
