[gmx-users] runtime statistics
qiao rui
ruiqiao at ews.uiuc.edu
Mon Feb 24 23:16:24 CET 2003
Hi, List:
I am looking at the output of Gromacs (md.log) and get a little
bit confused over the following message:
Computing: % Flop's
...
Coulomb (T) 0.1
...
LJ+Coulomb (T) 0.1
LJ+Coulomb (T)(W) 1.2
LJ+Coulomb(T)(WW) 57.8
....
The output says that WW stands for Water-water and T for tabulated. My
doubt is why there are LJ+Coulomb (T)(WW) and LJ+Coulomb(T)(W): is the
latter for the interaction between Water the other molecules in the
system?
Thanks a lot for your time.
Rui
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