Hi there! We are trying to compile gromacs with Gaussian 03 rev D.02 (we also have g09). We followed the instructions in http://wwwuser.gwdg.de/~ggroenh/roadmap.pdf despite that they do no fit exactly with the g03 rev d03 version,for instance, FrcNCN is no in l710 but in utilam.F
Despite of that, we compiled gromacs and apparently everything was fine, but we get a segmentation fault when we run gromacs. We have the following questions 1.- Is it possible to get a more detailed/or specific instructions? 2.- I think that three variables GAUSS_EXE, GAUSS_DIR and DEVEL_DIR should be defined. Where should GAUSS_EXE and GAUSS_DIR point exactly? Thanks for your attention, any help will be appreciated. Regards, Txema Mercero IZO/SGI UPV/EHU -- 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
