[gmx-developers] Re: turn on pdb output after every step.

Mark Abraham mark.j.abraham at gmail.com
Tue Jan 15 21:30:23 CET 2013

Elegant solution for what? You can postprocess a simulation trajectory that
was written with a period you specify. If the information is needed while
the simulation is running, you can just get it from the growing files. If
some how you want the simulation to react, then you don't want to write
data to file and read it again.


On Tue, Jan 15, 2013 at 2:57 PM, santhosh <mesanthu at gmail.com> wrote:

> @Anton,
> You are right. The simulation is going to be mostly in 100's of ps and the
> space would not be a problem. Thanks.
> But I still think there should be much more elegant solution. I would look
> in the code and try figuring out a way, if not I would use this trick.
> --
> View this message in context:
> http://gromacs.5086.n6.nabble.com/turn-on-pdb-output-after-every-step-tp5004551p5004584.html
> Sent from the GROMACS Developers Forum mailing list archive at Nabble.com.
> --
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-developers-request at gromacs.org.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20130115/4826d25c/attachment.html>

More information about the gromacs.org_gmx-developers mailing list