VMD-L Mailing List

From: CSM USP (surveyusp_at_yahoo.com)
Date: Wed Nov 15 2006 - 13:06:06 CST

Dear All,
I am trying to run SMD using NAMD for cox-2
inhibitors. I used VMD to convert pdb into psf. Now i
have three psf files(one for protein, one for
inhibitor and one for water). My questions:
1. Can i append all the three PSF files into one big
PSF?
2. How can i generate the CRD files for co-ordinates?
I would be grateful for any help,
Thanks
Kumar
 

 
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