VMD-L Mailing List

From: Daniela Rivas (dani.rivas.r_at_gmail.com)
Date: Tue Jun 16 2015 - 09:46:19 CDT

I'm using Yasara to run molecular dynamics and the output file for the
trajectories is in .sim format. I have no idea what it contains, I tried to
find out and I couldn't find anything.

Thanks!

2015-06-16 11:38 GMT-03:00 Axel Kohlmeyer <akohlmey_at_gmail.com>:

> On Tue, Jun 16, 2015 at 10:02 AM, Daniela Rivas <dani.rivas.r_at_gmail.com>
> wrote:
> > Hi,
> >
> > Is it possible to load a trajectory file in VMD using the .sim format? If
> > not, what can I do? Should I convert it to another format?
>
> what program does generate a .sim file? how is the format defined?
>
> VMD supports different file format through plugins. the list of
> available plugins is given here. you'll have to check if there is
> anything that is compatible with the file you have.
> http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/
>
> since i don't know what a .sim file contains and how it is created, i
> cannot give any advice. if there is no suitable plugin, you can see if
> there is a converter that outputs a supported file format (caution,
> this may lose information). otherwise, there is always the option of
> writing a custom plugin to support this particular file format. that
> would also help other users of the same program.
>
> axel.
>
> >
> > I hope you can help me.
> >
> > Thanks!
> > Daniela.
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>