[gmx-developers] introduce effective potential

[Nguyen Hoang Phuong]

> >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?
> >
>
> Yes.
>
> >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?

No, I get nothing all the screen. In principal I should see something like
(test here) as I told the computer.

>
> Did you recompile the mdlib and mdrun?

I did everything:

make distclean
export  CPPFLAGS=-I/usr/local/include
export   LDFLAGS=-L/usr/local/lib
./configure --enable-mpi --prefix=/home/phuong/GROMACS --without-x --disable-float --program-suffix _d

David, my system is just dialanine. It has dihedral angles.

>
> Berk.
>
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