Hi, thanks for the tips. First I used the information of the exact time I got from g_cluster which did not work (t=5590.093). So I used trjconv to convert the whole trajectory in a pdb-file from which I got the exact time (t=5590.00049) of the frame to be extracted that was different compared to that in g_cluster. By using that as input for trjconv I finally could extract the frame. The -dump option did not work without specifying the exact frame time.
Best regards, Björn > It might be a rouding problem, so if you want to extract the single > frame at time 5590, you might want to try > > trjconv -b 5589.9 -e 5590.1 -o frame.pdb ... > > If it still doesn't work: > In gromacs 3.3 there was a bug that caused trjconv not to find frames. > As far as I know the bug was fixed in Version 3.3.1. > > cheers, jochen >hi, >similar happened to me, when i used the -b and -e flags of trjconv. to me it >seemed that if you do not hit exactly the time frame as written in the trr >file, trjconv will not output anything. when i used the -dump flag it worked, >because then frames near the specified time are dumped. hope that helps. >marc -- Bjoern Windshuegel Department of Pharmaceutical Chemistry University of Kuopio Harjulantie 1 70211 Kuopio, FINLAND Phone: (+358) 17 162463 Fax: (+358) 17 162456 _______________________________________________ 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
