Dear Gromacs Users, Harmonic potentials are used in Gromacs for imposing restraints on the motion of the system. V = 1/2 * k * (x-x0)^2 And the forces are : F = -k * (x-x0) . ...
I want to use constant force for the restraint. Just scale the force : F = -k * (x-x0) / sqrt ( (x-x0)**2+(y-y0)**2 + (z-z0)**2 ) ... This was very simple. But I don't know where the position restraint code is . Could you please tell me where I can start with ? Many thanks for your help ! Best Wishes, Yours Sincrely, Chiango Ji -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists