The identifiers are just strings, so as long as they are unique, there shouldn't be a problem (I can't remember offhand if capitalization is respected or not, though).
I'd name them something other than opls_XXX, though, if you are adding your own, just to avoid confusion of you share the files with others. On Tue, Jul 28, 2015 at 3:43 PM, Eric Smoll <ericsm...@gmail.com> wrote: > Hello GROMACS users, > > In the OPLS atomtypes.atp file, is it problematic to define atom type names > (e.g., "opls_XXX") with nonconsecutive integers? For example, > > opls_1000 ... > opls_1100 ... > opls_1050 ... > > Best, > Eric > -- > 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 gmx-users-requ...@gromacs.org. -- 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 gmx-users-requ...@gromacs.org.
