[gmx-users] Changing Dielectric constant

[Andreas Kukol]

Gaurav,

Gromacs represents each atom explicitly in a space, which otherwise contains nothing (vacuum), while a dielectric constant implies a continuous medium.  A dielectric constant arises naturally, when e.g. the interaction between two charges is dampened by explicit solvent molecules inbetween. Gromacs could be used to calculate the dielectric constant of a solvent, I suppose.

Andreas

>>> gauravp at che.iitb.ac.in 05/03/2004 11:49:33 >>>
Dear Gromacs users,

How can I change the dielectric constant of the medium in which I'm
carrying out the simulations. I can't see any option about this in the mdp
file.

Thanks in advance.

Regards,
Gaurav

*********************************************************************
I can't believe that God put us on this earth to be ordinary.
						       ---- Lou Holtz
*********************************************************************

                           Gaurav Porwal
		    Senior Undergraduate Student
		  Department of Chemical Engineering
                         IIT Bombay, Powai
                          Mumbai - 400076
                              INDIA   
                          Ph. - 9820365472

Alternative Email Id's :-
porwal at iitb.ac.in 
porwal82 at yahoo.com 
**********************************************************************



_______________________________________________
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.