Hi, Not all force fields have all those fields, so GROMACS uses scanf style pattern matching. Look at the tables in chapter five of the reference manual for details.
Mark On Fri, 28 Jul 2017 17:10 lan hoa Trinh <[email protected]> wrote: > Dear Gromacs community, > In the [ atomtypes ] directive, according to Gromacs manual, it should have > 7 seperated fields, which are name, at.num, mass, charge, ptype, c6, c12. > However, when I remove the field of at.num, Gromacs still works without > notifying any error. If I insert 2 fields more, it still doesn't notify > error. Only when I insert 3 fields more, it start notifying error. > I don't understand how Gromacs read through all the parameters and > determine what is c6, c12, etc... > I am looking forward to hearing from you. > Thank you very much in advance. > Best regards, > *Lan Hoa* > -- > 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]. > -- 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].
