From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Wed Nov 15 2006 - 14:24:57 CST
That won't work.. A simpler (and sureshot) solution is to cat your pdb
files, remove the END lines, and re-generate the psf file. You can also use
psfgen.
On 11/15/06, CSM USP <surveyusp_at_yahoo.com> wrote:
>
> 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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-- **************************************** Neelanjana Sengupta, PhD student Dept. of Chemistry Univ. of California-Irvine Irvine, CA 92697 USA Phone: 1-949-824 9921 email: sengupta_at_uci.edu ****************************************
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