[gmx-users] Re: Force vs distance plot in pulling simulation?

Gmx QA gmxquestions at gmail.com
Sat Nov 17 14:38:43 CET 2012


Hi Erik and Justin

Thanks, writing such a script is easy.

The point of it all would be to be able to map the magnitude of the pulling
force to what I see happen in the pulling simulation. How else would you
get an understanding of what the pulling force means?

Thanks
/PK

>
> > The only solution is to write a simple script that parses out the
> columns you want.
> >
> > -Justin
>
> I don't see the point though. Except for checking implementation of the
> pull code.
>
> -----------------------------------------------
> Erik Marklund, PhD
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,    75124 Uppsala, Sweden
> phone:    +46 18 471 6688        fax: +46 18 511 755
> erikm at xray.bmc.uu.se <javascript:;>
> http://www2.icm.uu.se/molbio/elflab/index.html
>
> --
> gmx-users mailing list    gmx-users at gromacs.org <javascript:;>
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org <javascript:;>.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



More information about the gromacs.org_gmx-users mailing list