On Wed, Oct 20, 2010, Mickey Richards wrote:
>
> 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.
What happens when you cd to $AMBERHOME/src/nmr_aux/prepare_input and type
"make install"?
>
> 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?
See tutorial A4, which has some examples of torsional restraints. There are
also examples in Section 6.11.2 of the Users' Manual.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 21 2010 - 09:00:06 PDT
