Hi nope they are both finished. I have also checked the edr files and the time does not correspond to the time found in the respectively trr files. Those MD are carried out in a supercomputer (SARA in Amsterdam) and they were killed by the queue system. Probably as you said a buffer problem ...
gmx version 3.3.1 Regards andrea David van der Spoel wrote: > andrea spitaleri wrote: >> Hi all, >> silly question. I have checked a trr with gmxcheck and I get this >> output below: >> Item #frames Timestep (ps) >> Step 70 1 >> Time 70 1 >> Lambda 70 1 >> Coords 70 1 >> Velocities 24 3 >> Forces 0 >> Box 70 1 >> >> however if then i use trjconv to dump a configuration file at 70 ps it >> says: >> WARNING no output, trajectory ended at 69 >> >> Is it normal? I don't mind to extract a configuration file at 69 ps, >> however i was wondering if this >> behaviour is normal or whether it is bug. >> >> thanks in advance >> >> Regards >> >> andrea > is the simulation still running? then file buffering may play in. alt. > if you kill -9 then the buffers will not be flushed. > -- ------------------------------- Andrea Spitaleri PhD Dulbecco Telethon Institute c/o DIBIT Scientific Institute Biomolecular NMR, 1B4 Via Olgettina 58 20132 Milano (Italy) http://biomolecularnmr.ihsr.dom/ ------------------------------- _______________________________________________ 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
