Hi the molecular structure : bond length, bond angle, dihedral angle ....
the bond length, bond angle are easily determined.. but the dihedral angle are hard to control... with one set of the force field parameter, I could not get the exact structure of the molecule (not all of the dihedral angles are the same , but bond length and bond angle are the same) will it affect my rest of simulation severely? Thanks Lin _______________________________________________ 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
