[gmx-users] specifying the direction of Pull in US

Thomas Schlesier schlesi at uni-mainz.de
Mon Jul 9 10:59:57 CEST 2012


If you want to pull along a vector which connects to groups, the easiest 
way is to run 'g_dist' over your starting *.gro file.
this measures the distance and the vector connecting both groups. From 
GROMACS-4.0.x you don't need to normalise the vector. So you can 
directly use this vector.
greetings
thomas

> Thanks for ur suggestion Justin,
>
> I'm facing trouble in setting that vector, actually I cant figure out how
> can i set up a vector. Is there any easier way with which i can set up a
> vector. Thanks
>



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