[gmx-users] How can I concatenate multiple g96 configurations into a single trajectory?

Andrew DeYoung adeyoung at andrew.cmu.edu
Mon Mar 17 23:45:41 CET 2014

Hi Tsjerk,

Thanks so much for your time.  Unfortunately, when I tried to convert a .g96
configuration to a .trr trajectory, with this command:

trjconv -f conf1.g96 -o conf1.trr

I get this error message:

Program trjconv_d, VERSION 4.5.5
Source code file: trxio.c, line: 693

Fatal error:
Reading trajectories in .g96 format is broken. Please use
a different file format.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

I am running Gromacs 4.5.5.  Do you know if there is another way to convert
a .g96 configuration to a .trr trajectory, without using trjconv?  

Or do you know if a different version of Gromacs would not have this

Thanks for your time.

Andrew DeYoung
Carnegie Mellon University

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