[gmx-users] Re[2]: why the trajectory file is not output

Vitaly Chaban vvchaban at gmail.com
Fri Jan 23 22:14:35 CET 2009

Try to copy grompp.mdp from the working system and start the run with
the problematic one. At least we will understand where to look for
the bug.

So what is the version of your gromacs, you didn't still answer.

HY> Hi, As for the version, I can get the trajectory file when I run
HY> other cases using command"mdrun". In addition, when I run this case, the other
HY> files like "topol.tpr, ener.edr, mdout.mdp,md.log" can be output expect  the trr or xtc file.

HY> I am not sure why this happened.

HY> ________________________________________
HY> From: Vitaly Chaban [vvchaban at gmail.com]
HY> Sent: Friday, January 23, 2009 12:04 PM
HY> To: gmx-users-request at gromacs.org
HY> Cc: He, Yang
HY> Subject: Re: why the trajectory file is not output

gurgo>> When I use the command "mdrun"to simulate the CG DNA model, I found that  all the  files are output expect the trajectory file. I
gurgo>> will list
gurgo>> some parts of my mdp.file

HY> What about another systems? Do they output the trajectory? What
HY> version of gromacs do you use by the way? Do you run in parallel?

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