Hi Chris, I don't know if thngs changed in gromacs 4.6.x, but I succesfully did what you are triying to do setting the two variable GMXLIB and GMXDATA at the same time.
Francesco 2013/3/5 Christopher Neale <chris.ne...@mail.utoronto.ca> > Hello, > > I have downloaded the charmm36.ff directory and would like to use it with > pdb2gmx. Everything works fine if I put it in the current directory or the > share/gromacs/top directory of the binary that I am using. However, I'd > like to be able to put the charmm36.ff directory in an arbitrary place. > > I tried setting GMXLIB, no luck. I also tried setting GMXDATA and also, > separately, creating a directory structure share/gromacs/top/charm36ff and > then setting GMXDATA to share/ (which seems absurdly convoluted, but is > implied that it should work by the description of GMXDATA here > http://www.gromacs.org/Documentation/Terminology/Environment_Variablesand the > text at the output of pdb2gmx: > > Fatal error: > Could not find force field 'charmm36' in current directory, install tree > or GMXDATA path. > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > > I can get around this by making a link in the current directory and then > using sed to change the directory structure in the resulting .top file, > after which I can remove the link in the .top file. > > Thank you for any advice, > Chris. > > -- > 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 > -- Cordiali saluti, Dr.Oteri Francesco -- 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
