[gmx-users] A charge group moved too far between two domain decomposition steps
Ali Alizadeh
ali.alizadehmojarad at gmail.com
Wed Nov 7 04:42:31 CET 2012
Dear All users
I used OPLS ff for my system and I did not break my bonds,
When i use gromos96 45a3 after minimizing my bonds break(i can see
em.gro) but i do not get any errors in this step
After md production i get this error:
Fatal error:
A charge group moved too far between two domain decomposition steps
This usually means that your system is not well equilibrated
--
Sincerely
Ali Alizadeh
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