[gmx-users] mdrun

MUSYOKA THOMMAS mutemibiochemistry at gmail.com
Tue Nov 5 13:37:31 CET 2013


Dear Users,
I am running MD simulations of a protein-ligand system. Sometimes when i do
an mdrun, be it for the energy minimization or during the nvt and npt
equillibration  or the actual md run step, sometimes the output files are
named in a very odd way (strange extensions) e.g em.gro.tprr or md.tpr.cpt,
md.tpr.xtc.

Can anyone explain the cause of this?

Thanks



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