[gmx-users] on direction of pull.ppa

Erik Wensink wensink at telia.com
Wed Nov 6 18:12:05 CET 2002

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

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
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