Dear all, In the .rtp files for the gromos96 forcefield (G43a1, G43a2, G43b1, G45a3, G53a5 and G53a6), the aromatic hydrogens that should be bonded to the adenine and nicotinamide moieties are missing in NADH. Why is that so? Shouldn't these hydrogens be explicit?
On the other hand, if I generate a topology with prodrg beta, the aromatic hydrogens are added as I would expect... Many thanks, Rui Rodrigues -- Webmail ESTG de Leiria (http://webmail.estg.ipleiria.pt) _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
