[gmx-users] Non-zero total charge and Floating Point Arithmetic
b.mijiddorj at gmail.com
Tue Feb 14 09:37:30 CET 2017
Dear gmx users,
I got following note. Please advice me? I checked all topologies in my
system, but I could not find floating point.
NOTE 1 [file topol.top, line 36]:
System has non-zero total charge: -14.999997
Total charge should normally be an integer. See
for discussion on how close it should be to an integer.
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