[gmx-users] Changing Ionic strength in gromacs

Miguel Machuqueiro machuque at itqb.unl.pt
Tue Aug 10 17:27:29 CEST 2004

Hi all,

I would like to know how can i change the ionic strength of my simulation 
when using Reaction-Field.

The manual only refers to the Generalized-Reaction-Field and mentions:

"The ionic strength is computed from the number of charged (i.e. with non 
zero charge) charge groups"

OK... not what I wanted, but let's give it a try...

Running a simulation with it, I observed from the MDP_output (-po option of 
grompp) in the Generalized-Reaction-Field section that the Ionic Strength ( 
I ) was still zero.

Any ideas?? I'm I looking in the wrong place?!

Thanx in advance,

Miguel Machuqueiro
ITQB-Instituto de Tecnologia Química e Biológica
     Universidade Nova de Lisboa
Molecular Simulation Group - 6º Floor (Room 601)
Av. da República, EAN, Apartado 127
2781-901 Oeiras, Portugal
Tel. : +351 214469618 /Mobile: +351 96 7562285
E-mail1: machuque at itqb.unl.pt
E-mail2: masm at fc.ul.pt

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