[gmx-users] Nucl. Acids Force-Field Importation???
Anton Feenstra
feenstra at chem.vu.nl
Fri Mar 1 14:08:51 CET 2002
David van der Spoel wrote:
>
> It would be nicest is you could indeed make a program (preferably C
> or Perl) to transform the force field files into gromacs format. In the
> not so distant future I will start to transform all these kind of data
> files into XML, but then I will have to convert the old files
> automatically as well. It would be nice if we had some kind of CNS input
> reader that we could hook into this conversion tool, such that we can
> convert future CNS and or AMber force fields into gromacs without
> intermediate steps.
Do they keep file formats unchanged over versions?
--
Groetjes,
Anton
________ ___________________________________________________________
| | Anton Feenstra |
| . | Dept. of Pharmacochemistry - Free University Amsterdam |
| |---- | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands |
| |---- | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| ' __ | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
| / \ |-----------------------------------------------------------|
| ( ) | Dept. of Biophysical Chemistry - University of Groningen |
| \__/ | Nijenborgh 4 - 9747 AG Groningen - The Netherlands |
| __ | Tel +31 50 363 4327 - Fax +31 50 363 4800 |
| / \ | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton |
| ( ) |-----------------------------------------------------------|
| \__/ | "Step On the Brakes" (2 Unlimited) |
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