[gmx-developers] scale total force
Nguyen Hoang Phuong
phuong at theochem.uni-frankfurt.de
Fri Jul 9 19:43:53 CEST 2004
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;
}
}
however simulation is run forever with nsteps = 1000
Do you know where is wrong?
Thanks a lot in advance.
Phuong
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