[gmx-developers] introduce effective potential

Berk Hess gmx3 at hotmail.com
Fri Apr 23 15:33:46 CEST 2004

>I copy as follow (in init_forcerec of mdlib/force.c):
>   fr->userreal1        = ir->userreal1;
>   fr->userreal2        = ir->userreal2;
>   fr->userint1         = ir->userint1;
>   fr->userint1         = ir->userint1;
>and in the dopdihs of gmxlib/bondfree.c I did:
>qq = fr->userreal1;
>printf("test here %lf\n",qq);
>Does it mean that the userreal1 is passed to qq in dopdihs now?


>If that is the case, why I didn't see the value qq when I run gromacs?

What do you mean?
You get 0 in the output?

Did you recompile the mdlib and mdrun?


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