[gmx-users] PME, LIE and charged systems
ismael at laguna.fmedic.unam.mx
Wed Mar 16 23:04:28 CET 2005
I have not your answer. However, I would like to know how do you
"insert" your protein in a bilayer?
On Mar 16, 2005, at 3:29 PM, John Simms wrote:
> 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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