hi,
everyone.
I want to konw that if there is any difference between the tpr
files generated by gromacs4.6 and the older version gromacs,such as
gromacs3x。
When I run myrun ,the error is:
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
scheme
Converting switched or shifted interactions to a shifted potential
(without force shift), this will lead to slightly different interaction
potentials
-------------------------------------------------------
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
-------------------------------------------------------
so ,if you can tell me how to solve this problem and the reason for this
problem?
ps:I only have the tpr file ,so it is impossible to generate it use the
new version gromacs.
beg for your help!
thanks a lot
--
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