Hi Chandan, The problem is that with floating points the equality in
> if (fr.time == (4000.000 + (50.0 * inc))) is very unlikely to be satisfied at any time. To compare floating point numbers, you'll have to check whether the value is within a certain interval. But Jussi's approach is far more convenient in this particular case. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group Groningen Institute for Biomolecular Research and Biotechnology University of Groningen The Netherlands -- 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/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/mailing_lists/users.php
