> I am a new user of gromacs. Recently, I have installed the gromacs-3.3.3 > software package on my computer. After installation was complete, I run the > example of water in > the online reference manual. The trajectory file is OK for the first time. > But when I run it for the second time, and used vmd to look at the > trajectory, I found that the trajetory is >disordered, the frames in the VMD > main are equal to 2, and the output file .gro seems ok. What's worry with my > gromacs? I don't know what to do now and how can I overcome >this. Could you > help me?
If the trajectory was OK for the first time everything is very well with your example. I would suggest just to rerun your task and pay particular attention to the type of file you submit to VMD (trr, xtc). What means "trajectory is disordered"? Is everything OK with your settings of PBC? -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq., 4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ 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
