[gmx-users] Re: water dimer is gas phase
vvchaban at gmail.com
Fri May 20 22:18:46 CEST 2011
> I run the same mdp files for glucose in vaccum.
> I ma geting the proper results, I can visualize the strucutre properly in
> If I use same for water why I am not geting proper structure ?
Observe the evolution of energy for your water, after all.
Dr. Vitaly V. Chaban, Department of Chemistry
University of Rochester, Rochester, New York 14627-0216
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