[gmx-users] Re: large scale simulations
Dr. Vitaly V. Chaban
vvchaban at gmail.com
Sat Mar 31 17:26:15 CEST 2012
> thank you very much for your kind comments. Probably the most
> effective way is to optimize PME balance as Mark mentioned. It seems
The "most effective way" to get very quick simulations of the large
systems is to avoid PME....
It is up to the researcher to ensure good accuracy anyway.
Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216
THE UNITED STATES OF AMERICA
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