On Wed, Feb 18, 2015, Lara rajam wrote:
>
> For PPA - Pseudo rotation phase angle when generating the makeANG_RST with
> the option PPA I also checked the file in the path
> $AMBERHOME/src/nmr_aux/prepare_input/tordef.lib has the predefined angles
> for it
>
> # PSEUDO-ROTATION PHASE defined in terms of the NU angles
> PSEUDO CYT PPA NU0 NU1 NU2 NU3 NU4
>
> I would like to give the torsion restrain to the GLYCAM carbohydrate pahse
> angle ,
> How to generate the restrain file for this residues in particular using
> makeANG_RST
I don't think there is an easy or general answer here. You could work through
what makeANG_RST doing, and adapt it to your situation (noting that there is
no single "GLYCAM carbohydrate phase angle", and that five vs. six-membered
rings are quite different.)
Perhaps easier is just to write the restraints you want into &rst namelists.
In this way, you don't have to worry about makeANG_RST. The makeANG_RST
program is helpful if you have lots of reptitive restraints of the same
general form.
...good luck....dac
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Received on Wed Feb 18 2015 - 08:00:09 PST
