[gmx-users] electrostatic interactions
abdullah_renk_ahmed at hotmail.com
Mon May 3 18:40:54 CEST 2010
Actually I'd just like to know why both structures have such similar coloumb energy values.
If an electro-static interaction is being made in one structure and not in the other then their coloumb energy values should be different too, no? Wouldn't this be visible with simple energy minimisation?
I would prefer to not do molecular dynamics, because the structure is biologically optimal in this conformation and molecular dynamics may move it too much.
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