It seems that there was some change in reading the fields ‘cpp’, ‘include’, and ‘define’ from the .mdp file. Now I have set the GMXLIB environment variable rather than relying on those .mdp fields and it seems to work. Cheers.
Kaihsu Tai, 2009-05-21 16:07:03+0100: > I have a system which works with grompp 3.2.1 but grompp > 4.0.5 hangs at ‘processing topology...’. Is there > something that had changed (say, file format in .top or > .itp) that could have caused this? I can supply my > topology, conformation, etc. files if necessary for > debugging. Cheers. _______________________________________________ gmx-users mailing list [email protected] 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
