Re: > 10000 ato

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Fri Aug 13 2004 - 15:14:05 CDT

Don't create two pdb files. You can have one that contains two or more
segments. In psfgen the writepsf and writepdb command comes after that
last segment is generated.

Brian

On Fri, 13 Aug 2004, Jhih-Wei Chu wrote:

> Hi I have the following question:
>
> To run MD for a system > 100000 atoms, what exactly one
> need to do? I have divided the system into segments, and
> each has less then 99999 atoms. How do I let NAMD know that
> there are more than one pdb files? In the manual it says that
> only one pdb file can be specified.
>
> Thanks,
>
> Jhih-Wei Chu
>
>

*****************************************************************
**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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