Your conversion is correct (Although you should use 1 cal=4.184 J (not 4.19)), and yes, this is an absurdly strong force constant. I'm not sure what you mean by a physically realisitic value though.
-- original message -- If I have a force constant 287 kcal/(mol * A^2), the A stands for Angstrom and I want to calculate this to kJ/(mol * nm^2), is it correct that I have to multiply 4.19/0.01 = 419 to the force constant? Is ithis true: 287 kcal/(mol * A^2) = 120253 kJ/(mol * nm^2) Could this be a physical realistic value or is this a hint, that 287 kcal/(mol * A^2) makes no sense for a force constant? Thanks for helping Greetings Lara
-- 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