Dear all Hope you are fine.
To define an alkane molecule such as hexane I have defined its bonds, angles and cdihedrales according to amber forcefield. for non-bonded interactions I also have defined LJ and Columbic pair potentials. I am wondering if we need to consider special bonds for alkanes such as n-hexane and n-decane? -- Thanks a lot for your attention, Best Regards, Saly -- Thanks a lot for your attention, Best Regards, Saly -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
