[gmx-users] Re: water dimer is gas phase

[Vitaly Chaban]

> I run the same mdp files for glucose in vaccum.
>
> I ma geting the proper results, I can visualize the strucutre properly in
> VMD.
>
> If I use same for water why I am not geting proper structure ?
>
> Nilesh


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