Re: psf question

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Tue Mar 16 2004 - 11:02:21 CST

I maybe wrong but I don't think namd will take more than one psf file.

In any case you can (and should) combine this file using psfgen. Just
make sure to assign the chains different segment IDs and things will be
fine...

Regards,
Brian

On Tue, 16 Mar 2004, Hua Wong wrote:

> I am working on a dimeric molecule and managed to have two separate PSF file, one for each chain.
>
> And now, I have a bit of trouble making a .namd file to run namd with and i can't find the topic in the user guide.
>
> How do I declare the two PSF in the .namd file for the run?
>
> Thanks.
>

*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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