AMBER Archive (2002)

Subject: Re: Trajectory files

From: Laurent Chiche (chiche_at_cbs.cnrs.fr)
Date: Wed Jul 24 2002 - 10:26:36 CDT

Miguel,
Change the value of ntwx in your input file.
ntwx should be the time between snapshots divided by the time step (dt).
If dt=0.002ps and you want one snapshot each picosecond, set
ntwx = 500 (1/0.002)

Laurent

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.
>
>