From: Eric H. Lee (ericlee_at_ks.uiuc.edu)
Date: Wed Apr 22 2009 - 22:34:19 CDT
There is no special adjustment. Just source the correct forcefield
(i.e. par_all22_prot.....cmap.inp) in the namd script before you run
it. I am uncertain if there were any significant changes to the
topology file but you will probably want to build your system using
the appropriately updated charmm topology file as well.
-Eric
On Apr 22, 2009, at 1:30 PM, Gianluca Interlandi wrote:
> How do I use the CMAP correction with NAMD? Is there a particular
> entry I need to set in the config file or is it automatically used
> when I use a topology/parameter file with the CMAP correction?
>
> Thanks,
>
> Gianluca
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca_at_u.washington.edu
> +1 (206) 685 4435
> +1 (206) 714 4303
> http://artemide.bioeng.washington.edu/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------
Eric H. Lee
Medical Scholars Program
Theoretical and Computational Biophysics Group, UIUC
ericlee_at_ks.uiuc.edu
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