[gmx-developers] 【file tpx versio】how to convert the version

何斌 binhe at hustunique.com
Tue Feb 26 18:05:45 CET 2013

     I has got that the error:

Back Off! I just backed up 1.2.log to ./#1.2.log.2#
Reading file gmx_workload2.tpr, VERSION 4.0 (single precision)
Note: file tpx version 58, software tpx version 83

Converting input file with group cut-off scheme to the Verlet cut-off 

Converting switched or shifted interactions to a shifted potential 
(without force shift), this will lead to slightly different interaction 

Program mdrun, VERSION 4.6
Source code file: /home/shwzhou/gromacs/gromacs-4.6/src/kernel/runner.c, 
line: 741

Fatal error:
Will not convert old tpr files to the Verlet cut-off scheme with 
free-energy calculations or implicit solvent
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors


what is more,I can not find the way to solve it in the error pages.
I have got the idea that I can wrtie an app to translate it to a newer 
version ,but I do not konw the binary structure of it.
so,if you can provide me a way to solve this problem or tell me how I 
can write such an app to make it?

beg for your help!

thanks a lot!

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