On Wed, Jul 24, 2002, Miguel de Federico wrote:
>
> I want to do long molecular dynamics simulations and I'm being limited
> because the trajectory output files generated will probably fill my hard
> disk. Is there any option for saving less information? I would like to
> save about 1 structure each picosecond, instead of ten. Is this
> possible?
The ntwx parameter determines how often the coordinates are dumped to the
trajectory file; the ntwprt parameter can be used to save only the solute
atoms (if you are not interested in what the waters are doing.)
..good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Wed Jul 24 2002 - 08:15:55 PDT
