[gmx-users] regarding the free energy calculation of justin tutorial...

rama david ramadavidgroup at gmail.com
Sat Dec 1 07:18:56 CET 2012

Hi gromacs friends,

               I am doing the gromacs tutorial of Justin,

    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.

With best wishes and regards,
Rama david.

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