[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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