CG-MD high electrostatic energy values

From: sibel.cakan (sibel.cakan_at_stu.khas.edu.tr)
Date: Fri Jun 24 2011 - 03:40:32 CDT

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Dear NAMD users,
I did perform a CG MD simulation with NAMD 2.7 within a membrane system. I have repeated my simulation with the new version of NAMD. There are same differences for the electrostatic energy values between two simulations. The electrostatic values increased -6000 to -60 kcal/mol. I used the command of improved Martini forcefield in the new version :
cosAngles on
martiniSwitching on
dielectric 15.0
PME off
Is this difference releated with the dielectric constant value?

Could anyone explain why this is happening? Am I doing something wrong?
Thanks
Sibel

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