[gmx-users] PME, LIE and charged systems

John Simms JXS818 at bham.ac.uk
Wed Mar 16 22:29:49 CET 2005

Hi All,
I have am simulating a charged GPCR in a bilayer. The whole system is netralised with counterions and have used PME. I would lile to use LIE on a series of systems with different ligands. Looking through the archives i see that a work-around is proposed for using PME. But i also see that this may not work for neutral systems inwhich individual subsystems are charged? Is this correct?
Many Thanks

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