> > Could it be that this, second, compilation might have caused some > problems -- I had GROMACS compiled in single-precision, and it worked > fine -- could compiling in double-precision after the initial > single-precision overrun some files? I'm not sure anymore... >
from experience if you recompile in a directory from a previous GROMACS single precision make you need to do make distclean before switching to double - otherwise you do get random problems such as segfaults/infinite forces David _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
