espressomd-users
[Top][All Lists]
Advanced

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo] Generalized Lennard-Jones Potential


From: Lorenzo Isella
Subject: [ESPResSo] Generalized Lennard-Jones Potential
Date: Thu, 06 Dec 2007 22:34:11 +0100
User-agent: Icedove 1.5.0.14pre (X11/20071020)

Dear All,
I am trying to simulate a system interacting with a generalized Lennard-Jones(LJ) potential. However, when I try running the simulation I get the following error message:

excessive parameter/unknown interaction type "lj-gen" in parsing non bonded interaction
   while executing
"inter 0 0 lj-gen $eps $sig $cut $shift $r_off $e1 $e2"

I think I should have enabled an extra feature in the configuration file, but looking at the part dealing with the interaction:

/**********************************************************************/
/*                           interactions                             */
/**********************************************************************/

#define TABULATED
#define LENNARD_JONES
#define SMOOTH_STEP
#define BMHTF_NACL
#define LJ_WARN_WHEN_CLOSE
#define MORSE
#define LJCOS
#define LJCOS2
#define BUCKINGHAM
#define SOFT_SPHERE

/* Note: Activate ONLY ONE bonded angle potential out of the following! */
/* #define BOND_ANGLE_HARMONIC */
#define BOND_ANGLE_COSINE
/* #define BOND_ANGLE_COSSQUARE */



it is hard for me to tell what went wrong...I enabled pretty much every sort of interaction, but I cannot see anything looking like a generalized LJ potential.
Am I missing the obvious?
Many thanks

Lorenzo Isella



reply via email to

[Prev in Thread] Current Thread [Next in Thread]