VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sat Jun 06 2020 - 00:23:53 CDT

Hi,
  NAMDEnergy is s simple wrapper that launches NAMD to perform
the required calculations. If you're wondering how this is
done in NAMD, the NAMD User's Guide would be the best reference.
If you need to know the exact inputs NAMDEnergy sends NAMD, I
would suggest just reading its source code, it is a fairly
simple script as I recall. NAMD is doing all of the real work.

Best regards,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jun 01, 2020 at 05:00:56PM +0530, Aashish Bhatt wrote:
> Dear Sir
> I am using NAMD energy plugin to calculate Binding energy.
> can I get some references for this calculation?
> Best Regards
> Aashish 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/