[gmx-users] reg push pull

Justin A. Lemkul jalemkul at vt.edu
Sun May 15 18:51:46 CEST 2011

vidhya sankar wrote:
> Dear justin,
>                   Thank you for your reply,
>                                                       I want to 
> simultaneously push reference group and pull mobile group or vice versa 

In this case, you have no reference group, if you're pulling both of them. 
You'll have pull_group1 and pull_group2, but no pull_group0.  Take note of the 
warning in the manual about this case.

> ( here both groups moving in the same direction) . can i do that  by 
> which option of pull command  either by umbrella or constant_force option

That depends on whether you need to model constant velocity pulling or constant 
force pulling.  You can impart motion using any of the pull types (including 
constraint), but your specific needs will dictate which of these is most 



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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