VMD-L Mailing List

From: Joe Huang (HCHuang_at_uh.edu)
Date: Tue May 20 2003 - 17:41:59 CDT

Hi David,
If you use NAMD to run your MD simulations, you can use CHARMM to
analyze the DCD trajectories created by NAMD and get the order
parameters like the one described in the following link.
http://www.psc.edu/general/software/packages/charmm/tutorial/crowley/p2.html

H.-C. (Joe) Huang 

-- 
 *****************************************
 Hung-Chung Huang, M. T., M. Sc., Ph. D.
 Department of Biology and Biochemistry
 University of Houston, Houston, TX 77204
 Tel: (713) 743-8365, Fax: (713) 743-8351
 e-mail: HCHuang_at_uh.edu
 http://prion.bchs.uh.edu/~jhuang
 *****************************************
David Chalmers wrote:
>Hi all,
>
>Can anybody point me towards software/VMD commands/anything else that will
>allow me to calculate order parameters for an MD simulation?
>
>Regards
>
>David
>
>_____________________________________________________________________________
>
>David Chalmers						       Lab: 9903 9110
>Victorian College of Pharmacy				       Fax: 9903 9582
>381 Royal Pde, Parkville, Vic 3053           http://synapse.vcp.monash.edu.au
>Australia			  	     David.Chalmers_at_vcp.monash.edu.au
>_____________________________________________________________________________
>
>  
>