[gmx-users] on direction of pull.ppa

[Erik Wensink]

Hi Justin,
Is the 'start' option of the pull code fixed  in the latest release?
Best  Regards,
Erik


Justin MacCallum wrote:

> Hi Xu,
>
> You need to set the pulled group and the reference group, although the
> reference group isn't used for anything in the case of AFM pulling. If
> you have runtype set to AFM, then the only other parameters that matter
> are direction - which specifies which axis to pull along (ie. 0 0 1 is
> the z axis), pull rate, which is in nm/timestep, and forceconstant.  The
> r0_group* entries are for making starting structures for other types of
> pulling.
>
> Cheers,
> Justin
>
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.