Yes, I have read that part and still have no idea how can I do that. That part tells us how to transfer from the OPLS parameters Vi to RB potential in GROMOS force field Ci. Now what I have is phi and k for periodic potential. Is there any way I can get Ci for RB potential from phi and k in order to use OPLS force field?
On Fri, May 15, 2009 at 3:34 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > 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 > > ======================================== > -- Yanmei Song Ph.D. Candidate Department of Chemical Engineering Arizona State University
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