Re: Systems of > 100,000 atoms, *.psf files & *.crd files

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Wed May 12 2004 - 10:19:29 CDT

hello Paul

You need to break of the files into segments which then can have 99,999
entries each.

Regards
Brian

On Tue, 11 May 2004, Crozier, Paul S wrote:

> Has anyone come up with a good way around the 100,000 atom limit on *.psf
> files & *.crd files? The columns are not wide enough for six digits. But I
> know people are simulating systems bigger than 100,000 atoms and are using
> CHARMM compatible files with NAMD. How do you get around this problem?
> Thanks, Paul
>

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