[gmx-users] pull parameters

ibi2010004 at iiita.ac.in ibi2010004 at iiita.ac.in
Sat Nov 19 19:28:23 CET 2011

Hello gmx_users,

I want to pull ligand out of binding pocket of protein using a spring of
some force constant which i will vary with each simulation and with
varying pulling velocity.

F=K(xspring - x ligand) using this equation.Now I am stucked up how to
decide initial position of ligand and spring i.e.afm_init1 and afm_vec.

Please guide me in this section.


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