I've found that information in ffbonded.itp but I'm not sure about exactly meaning of some types.
E.g I'm looking for bond type for simple double bond between C=C as well as C=N ( here both atoms in 5-m ring) atoms pairs. Should I use for the first one #define gb_15 0.1390 8.6600e+06 ; CH2 - C, CR1 (6-ring) 800 and for the second one ; #define gb_11 0.1340 1.0500e+07 ; C - N, NZ, NE 900 ? Thanks for help James 2012/6/8 Mark Abraham <mark.abra...@anu.edu.au> > On 9/06/2012 12:00 AM, James Starlight wrote: > >> Dear Gromacs Users! >> >> >> I'm looking for description of the parameters of bonds terms ( termed as >> the gb_# in the topology.top file) . Could you tell me where I could find >> such descriptions for all possible bond types ? >> > > See manual for literature references for the force field components. > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> >
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