Re: Selectively turning off electrostatic interactions

From: govardhan reddy (
Date: Wed Mar 11 2009 - 12:47:18 CDT

I have access to a linux cluster (dual core xeon processors) and mac
(intel) machines.
Can please provide me the source, I can compile it. Binaries will also
work if you have compiled it for the above mentioned platforms.

On Mar 11, 2009, at 1:07 PM, JC Gumbart wrote:

> What platform are you running on? If you can compile from source, I
> can provide you with a hacked version of NAMD I made over a year ago
> to do precisely that.
> On Mar 11, 2009, at 11:36 AM, govardhan reddy wrote:
>> Hello all,
>> I have a protein solvated in water. I just want to turn off protein-
>> water electrostatic interactions but keep the protein-protein and
>> water-water electrostatic interactions intact. If anybody has
>> performed such kind of calculations in NAMD or in any other package
>> before, I will be grateful if you can provide me any input.
>> Thanks
>> Greddy

Govardhan Reddy
Research Associate
Institute for Physical Science and Technology
University of Maryland-College Park
College Park, MD - 20742
Phone: +1-301-405-4822
Fax: +1-301-314-9404

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:28 CST