From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Mon Mar 08 2004 - 12:17:52 CST
Could you give a synopsis of the errors you are encountering?
Brian
On Mon, 8 Mar 2004, Peter Spijker wrote:
> Hi all!
>
> For already a couple of weeks I am trying to create a PSF-structure file
> from a PDB I created. But somehow, and I do not see why, it is failing
> everytime. The structure I have is a lipid bilayer (DPPC molecules) with
> explicit water as solvent and in the membrane a protein is embedded (the
> B-2-adrenergic receptor). I am using the top_all27_prot_lipid.inp (and the
> associated par_all27_prot_lipid.inp) to create the PSF file. I wrote a
> simple Tcl-script according to the BPTI-example in the NAMD manual, but I
> somehow cannot create the PSF structure file. If somebody can help me, that
> would be terrific! If you want to give it a try, you can find the PDB-file
> on: http://www.its.caltech.edu/~pspijker/b2_dppc_h2o.pdb. I did not include
> the file so your mailbox would not explode. Thanks for helping.
>
> Kind regards,
>
> Peter
>
> ---
>
> Peter Spijker, B.Sc.
>
> Fulbright Fellow - The Netherland-America Foundation
>
> California Institute of Technology
> Biochemistry & Molecular Biophysics
> Materials Process and Simulation Center
> MC 139-74 Caltech
> Pasadena, CA-91125
> The United States of America
>
> Phone: (626)-395-2844
> E-mail: pspijker_at_wag.caltech.edu
>
>
*****************************************************************
**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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