[gmx-users] (no subject)
sara_15_s at yahoo.com
Wed Jan 9 14:57:59 CET 2013
first ,I get error on atom number XXXX.
after change emtol to 10 , I get same error on atom number YYYY.
what' your idea? how to solve it?
I use this file for PR step , but I get this error:
A charge group moved too far between two domain decomposition
your system might be not equilibrated well enough
my system without charge (total charge is zero)
what' your idea?
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