[gmx-users] simulation in vaccum
swatipatel088 at gmail.com
Sat Apr 28 15:20:46 CEST 2012
I am trying to pull ligand biotin out of the streptavidin protein.Following
the tutorial Protein ligand complex by Justin ,i have done till energy
minimization step skipping adding solvent and ion step,and skipping
pressure and temperature equilibration.Now how to proceed further to run
the pull code.i am also following umbrella sampling tutorial.But i am
confused.Can anyone guide me?
Thanks in advance
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