On 12/1/12 1:18 AM, rama david wrote:
Hi gromacs friends,
I am doing the gromacs tutorial of Justin,
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/07_analysis.html
When I wrote the command
g_bar -f md*.xvg -o -oi -oh
I stuck with the reply :
Program g_bar, VERSION 4.5.5
Source code file: /build/buildd/gromacs-4.5.5/src/tools/gmx_bar.c, line: 799
Fatal error:
Some dhdl files contain only one value (dH/dl), while others
contain multiple values (dH/dl and/or Delta H), will not proceed
because of possible inconsistencies.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
As per me I followed the all instruction of Tutorials.
Please give me some suggestion on these issues.
Look at each file in a text editor. It sounds like one or more files has only
one data value, while the others have multiple. I don't know why this would
occur other than perhaps an I/O error during the simulation or if one or more
simulations terminated prematurely.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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