[gmx-users] Re: large scale simulations

[Dr. Vitaly V. Chaban]

>   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