[gmx-users] how to get the epsilon and sigma values of CO
Dr. Vitaly Chaban
vvchaban at gmail.com
Mon May 27 17:59:46 CEST 2013
if there are many values in the literature, what do you want?
On Mon, May 27, 2013 at 4:29 PM, Ishwor Poudyal <ishwor_p_19 at hotmail.com>wrote:
> Dear all.I want to study simulation of carbonmonoxide in water...I get
> different values of force constant partial charge while searching for those
> constants. Can anyone help me providing the values of partial charge (of
> CO), force constant and lennard jones parameter epsilon and sigma used in
> the simulation process....Thanks --
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