From: Chris Chipot (chipot_at_ks.uiuc.edu)
Date: Mon Jun 24 2013 - 07:02:24 CDT
James,
a NAMD tutorial for protein-ligand standard binding constant calculations
is currently in alpha-version. It will be tested thoroughly in the
coming days.
If you can wait a little, I should be able to send you a copy by the end of
this week.
Chris Chipot
On 6/24/13 8:51 AM, James Starlight wrote:
> Dear Namd users!
>
>
> I'd like to perform simulation of the protein-ligand complex ( In that
> case I'll deal with the water-soluble diffusional ligand). Could you
> provide me with some tutorial for such simulation ? ( in particular
> I'm looking for additional parameters which i should specify in the
> conf files).
>
>
> Thanks for help,
>
>
> James
--
_______________________________________________________________________
Chris Chipot, Ph.D.
Theoretical and Computational Biophysics Group
Beckman Institute
University of Illinois at Urbana-Champaign
405 North Mathews Phone: (217) 244-5711
Urbana, Illinois 61801 Fax: (217) 244-6078
E-mail: chipot_at_ks.uiuc.edu
Christophe.Chipot_at_edam.uhp-nancy.fr
Web: http://www.ks.uiuc.edu/~chipot
http://www.edam.uhp-nancy.fr
It is hard for France to maintain a thirty-five-hour workweek when
China and India have invented a thirty-five-hour workday.
Thomas L. Friedman
_______________________________________________________________________
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:23:22 CST