[gmx-developers] scale total force

[David]

On Fri, 2004-07-09 at 19:43, Nguyen Hoang Phuong wrote:
> Dear all,
> 
> I would like to multiply the total force which acts on each particle by a
> factor c. To do this, at the end of the force.c routine I added this
> part:
> 
> for(i=0; natoms; i++){
> 
> for (m=0; (m<DIM); m++) {
>         f[i][m]      = f[i][m]*c;
>         fr->fshift[i][m] = fr->fshift[i][m]*c;
>   }
> }
the fshift array has only 27 entries. It may be that you are overwriting
something.
> 
> 
> however simulation is run forever with nsteps =  1000
> Do you know where is wrong?
> 
> Thanks a lot in advance.
> 
> Phuong
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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