Re: [AMBER] rfree: Error decoding variable 1 3 from:

From: Jason Swails <>
Date: Thu, 12 Apr 2012 08:53:35 -0400

On Thu, Apr 12, 2012 at 8:45 AM, David A Case <>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 M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Thu Apr 12 2012 - 06:00:06 PDT
Custom Search