Dear gromacs users, I am doing a lipid-bilayer simulation using gromacs 3.3 version. While calculating the order parameters, although I am having a hard time.
When I issue the following command: g_order -f lb.trr -s lb.tpr -n sn2.ndx -b 0 -e 30 I get the following output: trn version: GMX_trn_file (single precision) Reading frame 0 time 0.000 Reading frame 5 time 25.000 i.e. 5 frames are missing. If, I change -e to 40 then I get the correct results: trn version: GMX_trn_file (single precision) Reading frame 0 time 0.000 Last frame 8 time 40.000 Also, if I issue g_order with -b 0, -e 100, output is: trn version: GMX_trn_file (single precision) Reading frame 0 time 0.000 Reading frame 10 time 50.000 i.e. 10 frames are missing. But if I change -e from 100 to 105 then surprisingly agin I get the correct result: trn version: GMX_trn_file (single precision) Reading frame 0 time 0.000 Last frame 20 time 100.000 Is there any problem with the -b, -e flags or am I doing something wrong somewhere? Has anyone ever encountered a similar kind of problem? Kindly suggest me something, eagerly waiting for the reply, Pri... __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
