Please keep all Gromacs-related correspondence on the gmx-users list. That way,
the discussion is archived for the later benefit of others, and you have a
chance to reach a wider audience of individuals who may be able to help you.
That said, read the manual, section 4.2.12.
-Justin
Yanmei Song wrote:
Dear Justin:
If I have the parameters of GROMOS force field for the proper dihedral,
which i think they are phi and k for function 1 for periodic type. I
wanted to use OPLS force field. As far as I know in OPLS the dihedral
was RB potential in fuction 3. So my question is do you know any method
I can transfer this parameter to RB parameters? Or these two potentials
have no connections? Thanks
--
Yanmei Song
Ph.D. Candidate
Department of Chemical Engineering
Arizona State University
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
