On Thu, Oct 05, 2006, Prashanth Athri wrote:
> ----------------------------------------------------------
> Initial minimization
> &cntrl
> imin=1, maxcyc=5000, ncyc=200
> cut=16, ntb=0, igb=1,
> /
> Hold
> 50.0
> ATOM 1 1
> END
> Hold
> 50.0
> ATOM 14 16
> END
> END
>
> ---------------------------------------
Note that the coordinate restraints are only invoked if you set ntr=1, which
you are not doing in the above script.
If you want dihedral restraints, the best course is probably to treat them
as "NMR" restraints.
...good luck...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Oct 08 2006 - 06:07:30 PDT
