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

Raj princecrusial05 at gmail.com
Fri Jul 6 08:21:46 CEST 2012

Hi all,

I am working on steered molecular dynamics and In that I would like to pull
the ligand ( already in complex with protein) away from the reference amino
acid ( which I've selected so that I can direct the ligand to get closure to
my desired amino acid residue). Now the thing is when I used VMD to assign
the direction, The desired direction of mine is not along the proper x, y,
or in Z axis. So my question is how can i specify the direction in a
situation like this. I've seen in other discussions people have used
pull_vec. How can I get the values of the pull_vec. Kindly help me . thanks
in advance 

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