[gmx-users] eneconv error

Alan Dodd anoddlad at yahoo.com
Tue Jan 30 15:44:30 CET 2007

I've noticed something similar... it's worth noting that you appear to be getting duplicates around the join mark.  I suspect, for me at least, it's because my .edr output interval doesn't quite tally with the total runtime - so I not only get a output at every required step, but also a final output at a non-specified interval, still included in the fixed.edr but ignored usually - providing your extra 4 frames.
Or it could be an extra frame at the start, of course.

----- Original Message ----
From: chetana baliga <baliga.chetana at gmail.com>
To: gmx-users at gromacs.org
Sent: Tuesday, January 30, 2007 2:35:46 PM
Subject: [gmx-users] eneconv error

Dear users,

I am getting extra frames upon concatenating my edr files. I am using
a time step of 0.5 ps . Each edr file , of 2 ns, has exactly 4000
frames, but upon concatenating files of total of 10 ns, I am getting
20004 frames. But, my xtc files upon concatenation give me the
required number of frames !! [i.e., 20000 in this case!] I am unable
to figure out how this could be occuring.

Thanks for any help in advance :)


gmx-users mailing list    gmx-users at gromacs.org
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Finding fabulous fares is fun.  
Let Yahoo! FareChase search your favorite travel sites to find flight and hotel bargains.

More information about the gromacs.org_gmx-users mailing list