Thanks a lot for timely reply by gmxusers.I read the manual and i had altered the buckingham coefficients in topolgy file.Now in mdp file in vdwtype i want to specify it as buckingham but looks like i can mention only LJ and in manual they haven't told about the notation for BJ.any suggestions please.
sree. On Tue, Dec 21, 2010 at 6:02 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > sreelakshmi ramesh wrote: > >> can anyone tell me how to alter the parameter B OF buckingham potential. >> >> > Manual, chapter 5, especially table 5.4, which specifically lists all of > the parameters and where they are defined. > > -Justin > > regards, >> sree >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > 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://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists >
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