[gmx-users] Energy minimization with walls
harshaljain950 at gmail.com
Fri Nov 23 14:11:15 CET 2012
I am simulating a box filled only with water and having walls at Z=0 and
Z=Z_box. I am confused that whether energy minimization process removes the
bad contacts between wall atoms and solvent or not ?
any kind of help would be really appreciated
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