[gmx-users] Load imbalance and Y size error

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Fri Oct 9 00:13:34 CEST 2009


> No. My system is a single protein with charged ligand associated with it. But why should box size shrink ? In solvated system it does not shrink. What effect vacuum could possibly have on it ?

Sounds very much like you have pressure coupling on.  Check your .mdp file.

Catch ya,

Dallas Warren
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