[gmx-users] PME-user for electrostatics
argyriosk at yahoo.com
Thu Nov 27 22:37:36 CET 2008
i want to use a different function than the Coulomb to calculate the electrostatics
between charged ions. So i am thinking to user the PME-user option for the electrostatics.
The manual says for the PME-user option"The PME mesh contribution is subtracted from the user table by mdrun".
what that means? should i have to add the short-range-potential (given by equation-4.33 in the manual)
in the user table, because that will be subtracted with the mdrun?
please let me know, and thanks a lot for your help
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