On Fri, Aug 15, 2014 at 4:06 PM, Hugo Azurmendi <hazur_99.yahoo.com> wrote:
> Sorry I didn't give enough info. Using sander.MPI, Amber 14. I read the
> restraints from file, the error from output:
> ...
>
> Error: Invalid atom or grouping specified in restraint.
> restraint = "torsion (:2.C2 :2.C3 :2.C4 :2.C5 )"
>
All of the examples I see in the manual have commas between the masks.
Maybe try that...
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Aug 15 2014 - 16:00:02 PDT
