AMBER Archive (2002)

Subject: Re: Trajectory files

From: Natasja Brooijmans (nbrooij_at_itsa.ucsf.edu)
Date: Wed Jul 24 2002 - 09:34:28 CDT

If you are not intersted in the dynamics of the water molecules, you can
save the trajectory without them, and just look at the protein/dna/rna.

Natasja Brooijmans
Graduate Program in Chemistry & Chemical Biology
Department of Pharmaceutical Chemistry
University of California, San Francisco
San Francisco, CA 94143-0446
phone: 415-476 8291
fax: 415-502 1411
e-mail: nbrooij_at_itsa.ucsf.edu

On Wed, 24 Jul 2002, Miguel de Federico wrote:

> Hello,
>
> 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?
>
> Thank you in advance.
>
>
> Miguel.
>
>