Hello.
I would like to run a simulation using a J-torsion restraint for a single
dihedral angle. However, makeANG_RST does not seem to be compiled on my
system. The makeANG_RST.o file is also missing, which I gather is necessary
for this compilation.
So, I would like to know if anyone has an example of a J-torsion restraint
after makeANG_RST has run, i.e. an example of the input that sander itself
uses? Since I only want to constrain one torsion, it seems like this would
be simple enough to set up by hand, if I knew the correct format.
Or, can anyone help me fix makeANG_RST?
Thank you!
--
With best regards,
--Mickey Richards
Department of Chemistry
University of Alberta
email: mickey18385.gmail.com
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Received on Wed Oct 20 2010 - 19:30:04 PDT
