[gmx-users] PME, LIE and charged systems

Ismael 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
> John
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list