[gmx-users] OCP simulations
argyriosk at yahoo.com
Wed Aug 13 00:04:47 CEST 2008
A one-component plasma (OCP) is a system in which a single species of charged particle
moves in a uniform backround of the opposite charge. Systems of this nature exist in the dense stellar matter of white-dwarf stars.
when the screening parameter of the screened Coulomb goes to zero then we have the Coulombic one-component plasma
you are right , in gromacs 3.3.1 , it is possible to use a uniform neutralizing backround in PME to compensate for a system with a net backround charge. it is not necessary to add counterions to neutralize the system.
thank you very much
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