Hi gmxions, Based on the litterature search , I am going to use Kb value of " 4 Kcal/mol A2" (1673.6 KJ/mol nm2)as harmonic bonded force field constant(type 6) for restraining distance of Fe(II) ligated with atoms of 2 Nitrogen and 1 Oxygen. If any one having objection please correct me ): .
With thanks ! B.Nataraj -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - Send your email first class _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
