Hello all, I am doing a cg minimization with Gromacs-4.0.3. It is compiled on a Linux system with gcc 3.4.6
All frames in the trajectory are identical to the starting configuration, except for the final one, which is clearly different. I get the expected number of frames in the trajectory (.trr), and the energy saved in the .edr is decreasing. But apparently the changes in the structure do not reach the trajectory file. Any suggestions? Heiko __________________________________________________________________________ Verschicken Sie SMS direkt vom Postfach aus - in alle deutschen und viele ausländische Netze zum gleichen Preis! https://produkte.web.de/webde_sms/sms _______________________________________________ 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
