Yes, can remove. However, ability to remove don't depend on our desire, but depend on Force field set of rules. If molecule was parametrized with 1-4 LJ, it is not desirable to remove it.
If it is in-house force field which ignore 1-4 LJ, then one can safely remove it. Sergey 27.08.2013, 20:42, "Valentina" <valentina.erast...@durham.ac.uk>: > Ok, thank you! > > I was hoping for an easier job. > > My system is anyhow flying apart - trying to spot a problem. Hence trying. > > One more question - [ pairs ] get automatically generated. But I don't need > 1-4 LJ. So I can just remove them? > > Thank you > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/general-question-about-molecule-rtp-and-pdb2gmx-tp5010759p5010761.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- "Подлеца не будут носить крылья. Это общий закон птиц" Кар-Карон -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
