It's pretty close to -1. The difference stems from floating point
conversion errors. There's nothing to worry about.
Erik
Kavyashree M skrev 2011-01-17 13.02:
Dear gromacs users,
while using grompp I got a message :
" System has non-zero total charge: -9.999998e-01"
This is non integral charges. What should I add using genion?
+1 charge? Why am I getting such non integral charges?
I also checked for any breakage in the chain and found no such
ends.
Kindly suggest
With Regards
MKS
--
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
[email protected] http://folding.bmc.uu.se/
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