Hi,
Could anyone tell me how to parameterize a new molecule for using it with
OPLS (basic principles). What a .pdb file should look like and what .mdp
variables are specificaly related to OPLS?
Thank you in advance
Egidijus
---------------------------------
Never miss a thing. Make Yahoo your homepage.
_______________________________________________
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