[gmx-users] How to use gmx convert-tpr for GMX5.0.4
Smart Eagle
wangykoo at gmail.com
Fri Dec 26 05:33:30 CET 2014
Hi all,
I can use tpbconv to restart or extend simulations for GMX 4.x version. Now I have installed the newest verion of GMX 5.0.4, and I found the tpbconv command had been changed into "gmx convert-tpr". But when I use this gmx convert-tpr I got the above error:
$ gmx convert-tpr -h
-bash: gmx: command not found
the information of the GMX I installed is :
GROMACS: gmx tpbconv, VERSION 5.0.4
Executable: /lustre/software/gromacs/gromacs-5.0.4/GPU/impi_fftw_sse2/bin/gmx_ mpi
Library dir: /lustre/software/gromacs/gromacs-5.0.4/GPU/impi_fftw_sse2/share/gr omacs/top
so is there anybody who can give me a suggestion on how to use this new command "gmx convert-tpr"? Thank you very much!
cheers
Yukun Wang
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