Hi,
Does anyone know why POL3 with gaff and ff02EP would lead to unstable
simulations but when POL3 is replaced with SPC (solvating with POL3BOX
replaced by solvating by SPCBOX) the simulation becomes stable?
I use amb2gmx to run the simulation on gromacs.
thanks,
Grange.
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Received on Wed Jul 16 2008 - 06:07:12 PDT
