Look at the 'impose' command in Leap. You can do any kind of manipulation
you want. In order to change a dihedral angle
impose mol {1} { {A1 A2 A3 A4 X1}}
where Ai (i=1 to 4) are the atom names and X1 is the dihedral angle you
want the A1-A2-A3-A4 torsion to be. 'mol' is is the name of the molecule
and {1} is the residue number.
Ilyas Yildirim, Ph.D.
---------------------------------------------------------------
= Hutchison Hall B#10 - Department of Chemistry =
= - University of Rochester =
= 585-275-6766 (office) - =
=
http://www.pas.rochester.edu/~yildirim/ =
---------------------------------------------------------------
On Sat, 12 Jun 2010, Navanath Kumbhar wrote:
> Dear Amber community,
>
> can i define torsion angle value in xleap?
>
> if will do please tell me how can i do this.
>
> Thanks and great regards
> from
> Navanath Kumbhar
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> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Sat Jun 12 2010 - 04:30:05 PDT
