Hi Heiko,
> when new generated files have 7 decimal places...
> where does the places 4-7 come from
> when coordinates are generated from trajectory-file?
They should be zero, or very close to it. E.g.
9.3210000 or 9.3209999
In other words in the coordinate file, due to filesize considerations, you
loose precision. This is largely not a problem however since it means
distances could be off by 0.001 angstroms or so. This is much much much
smaller than the precision in to which the force field was fitted so is not
worth worrying about.
All the best
Ross
/\
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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Received on Fri Nov 04 2005 - 16:53:01 PST
