Hi Mike !!
zeros mean no database generation and "2" means a force field with all
atom model
more detailed info:
http://amber.scripps.edu/formats.html
Hope this helps,
best regards
Ivan
On Wed, 1 Feb 2006, Michael Mazanetz wrote:
> Dear AMBER forum,
>
> I am interested in understanding the format of the prepi file as depicted below:
>
> 0 0 2
>
> This is a remark line
> molecule.res
> SUS INT 0
> CORRECT OMIT DU BEG
> 0.0000
> 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000
> 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000
> 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000
> 4 C2 ca M 3 2 1 1.540 111.208 180.000 -0.17826
> 5 C1 ca M 4 3 2 1.386 86.897 -162.979 -0.04968
> 6 H1 ha E 5 4 3 1.072 120.119 25.599 0.16937
> 7 C14 ca M 5 4 3 1.379 119.724 -154.668 -0.01913
>
> etc
>
> What does the first line 0 0 2 mean? Where can I find more information about this and other file types?
>
> Regards,
>
> Mike
>
>
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--
_______________________________________________
/ \
/ Ivan Marchan Carvajal \
| (PhD Student) |
| |
| Institut de Recerca Biomedica de Barcelona |
| Parc Cientific de Barcelona |
| Molecular Modelling & Bionformatics Group |
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| C/ Josep Samitier 1-5 08028 Barcelona |
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Received on Thu Feb 02 2006 - 06:10:06 PST
