[gmx-users] About the output information

Vinson Leung lwhvinson1990 at gmail.com
Thu Oct 30 07:03:03 CET 2014


Hi all.
I am new to gromacs and my major is not related to molecular simulation so
I do not  know the meaning of almost everything in the output information :(

For example, in the output file like below:
=========================================================
step  375: timed with pme grid 80 80 64, coulomb cutoff 1.089: 131.6
M-cycles
....
imb F 29% pme/F 1.25 step 1900, will finish Thu Oct 30 12:05:34 2014
.......

vol 0.80  imb F  3% pme/F 1.21 step 30100, will finish Thu Oct 30 12:05:27
2014
==========================================================

what does "coulomb cutoff 1.089: 131.6 M-cycles", "imb F 29%","pme/F
1.25","vol 0.80" mean?

Thanks all:)

Vinson


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