[gmx-users] Energy minimization with walls

harshaljain950 harshaljain950 at gmail.com
Fri Nov 23 14:11:15 CET 2012

Hi all,

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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