[gmx-users] Question about forcefield files

[Michael Shirts]

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 <ericsmoll at 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-request at gromacs.org.