Dear Gromacs users: Am I right assuming that [exclusions] do not affect the interactions defined by [pairs]?
This seems to be implied from the note in section 5.3.4 in the manual: "Note that one should add exclusions for all atom pairs participating in pair interactions type 3, otherwise such pairs will also end up in the normal neighbor lists". I think, however, that it can be confusing given the overall concept: [exclusions] removes non-bonded interactions, and [pairs] defines non-bonded interactions. One could think that pairs would be excluded too. May I suggest a more explicit statement to be added to the 5.4 sections (that [exclusions] do not affect [pairs]? Ignacio -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
