Dear Sir,
Thank you for early reply.
I have changed dihdral angle for modified nucleosides in sybyl7.3 and open
this file in xleap, i also load prep and frcmod file for this nucleosides .
when i want to save top and crd files it gives error as
improper torsion parameter
So please tell me how i can used modified nucleosides in xleap and how i
saved prmtop and inpcrd files.
Thanks and great regards
from
Navanath Kumbhar
On Sat, Jun 12, 2010 at 4:46 PM, Ilyas Yildirim
<yildirim.pas.rochester.edu>wrote:
> 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/<http://www.pas.rochester.edu/%7Eyildirim/> =
> ---------------------------------------------------------------
>
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jun 12 2010 - 06:00:05 PDT
