[gmx-users] reg box dimension

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 20 18:53:36 CEST 2011

vidhya sankar wrote:
> Dear justin thank for your previous reply
> I have Adjusted My box vectors along only one pulling dimension.
> I am pullling for distance of 5 nm from the center of box along Z axis  
> i am using the following option in editconf_d  my command is as follows
>  ./editconf_d -f protein.gro -o newboxprotein.gro  -center 3  2  10   
> -box 6   4   20
> I am using pull_geomentry = Distance

Looks fine to me.  For methodological details, please see the SMD/umbrella 
sampling tutorial.



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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