/* check for visualiziation */
// to be continued ...
- if(!(i%100))
+ if(!(i%1)) {
visual_atoms(moldyn->visual,i*moldyn->tau,
moldyn->atom,moldyn->count);
+ }
}
return 0;
h1*=h2; /* 1/r^14 */
h1*=sig12;
h2*=sig6;
- d=-12.0*h1+6.0*h2;
+ d=12.0*h1-6.0*h2;
d*=eps;
v3_scale(&force,&distance,d);
v3_add(&(atom[j].f),&(atom[j].f),&force);