[gmx-users] forcefields gaff/ff02EP good solvated with SPCBOX but not POL3BOX

Grange Hermitage ghermitage at gmail.com
Mon Jul 14 06:16:26 CEST 2008

Does anyone know why POL3 with gaff and ff02EP in amber antechamber/tleap
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.
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