On Tue, Apr 23, 2013 at 9:32 AM, Rahul Banerjee <
rahul.banerjee.chemistry.msu.edu> wrote:
> Hi Jan-Philip,
>
> This combination works with Sander but not with PMEMD.
>
> I do not understand though, why this option is not available. When NMR
> restraints can be reduced gradually, why not positional restraints?
>
Because nobody has coded it yet. While the code itself would not
necessarily be that complicated, adding it and validating it is enough of a
time commitment to discourage people from messing with it.
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 Tue Apr 23 2013 - 07:30:02 PDT
