From: Jeffrey Potoff (jpotoffx_at_gmail.com)
Date: Thu Jun 27 2013 - 17:01:06 CDT
On 6/27/2013 5:33 PM, Mihaela Drenscko wrote:
> Could you please tell me in which of the files created before in
> gromacs to calculate sn-2 order parameter do I have to make the change
> to run the program for sn-1 one and how do I specify that is sn-1
> instead of sn-2?
Since you are using Gromacs, it seems that this could be answered by
reading the documentation for the g_order program.
NAMD doesn't have any built in facility for calculating order
parameter. If you want to do the analysis in VMD, you may be able to
find a TCL script that you can adapt for your purposes, like this one:
-- ====================================================================== Jeffrey J. Potoff jpotoff_at_wayne.edu Associate Professor and Director of Early Engineering Programs Department of Chemical Engineering and Materials Science Wayne State University 5050 Anthony Wayne Dr Detroit, MI 48202 http://potoff1.eng.wayne.edu ======================================================================
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