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

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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
>

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**Brian Bennion, Ph.D. **
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