Hi For one molecule, will Gromacs give the same set of force field parameters to this molecule no matter this molecule is put in water or in vacuum? The bond length, the bond angle, and the dihedral angles of the same molecule will be different in water and in vacuum. So, will the force field parameters be changed/ adjusted in water than in vacuum?
How does Gromacs set the force field parameters for the molecule? I mean..... are the force field paramters determined in local or in global? Could I change parts of the force field parameters which I found from the published paper? Or, I could not change parts of the force field parameters; instead, I have to change the whole set of the force field parameters??? Thank you 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
