[gmx-users] Molecule specific explosion

Eric Smoll ericsmoll at gmail.com
Sun Apr 26 09:37:49 CEST 2015

Hello Gromacs Users,

I have constructed a multi-component solution and, during energy
minimization, one molecule type is radically deforming under ~ 0.2 ps. All
molecules of this type "explode" simultaneously. Looking over the topology,
all the atoms in this molecules appear to have correct forcefield
assignments. I am writing to ask if anyone might have a suggestion on how I
can identify the origin of this problem.


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