[gmx-developers] Velocity update

msuk2 at uiuc.edu msuk2 at uiuc.edu
Fri Oct 20 05:05:02 CEST 2006

Dear gmx-developers,

I was trying to simulate atoms moving with constant velocity. To do that, to make it not affected by any force, i assigned huge mass value so that F/m goes to zero. In that case, it does not simply give same velocity value after one step. (The velocity became zero after one step despite its huge mass value). So, it looks like some correction is made if F/m goes to zero. I'd appreciate it very much If you could answer me how velocity is updated in that case, and how I can make it maintain its initial velocity. (Of course, I excluded interaction between atoms)

Thanks for your effort to develope GROMACS :-) 

All the best,


More information about the gromacs.org_gmx-developers mailing list