[gmx-developers] force manipulation

ottom otto.master9 at gmail.com
Fri Dec 13 18:59:01 CET 2013

Dear all,
I would like to scale the forces after they were calculated with do_forces()
in md.c. I thought to do this immediately after the function was called by
iterating over the atoms of a specific mdatoms structure (right?) and would
use something like svmul(ir->scalar,f[i],f[i]). Is this the right way to do
or am I messing up with something? What would be the easiest approach doing
this just before the velocities and positions are updated and what are
possible caveats? Is there something other than the rvec f I have to update
or manipulate? 

Thanks a lot and all the best

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