[gmx-users] gmx wham problem

Vasiliu Tudor vasiliutudor_ro at yahoo.com
Fri Nov 3 10:29:32 CET 2017

I'm trying to obtain the PMF of an umbrella simulation using WHAM, but i get this error which i have no ideea how to solve :
Command line:
  gmx wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kCal

Note: Will use 8 OpenMP threads.

Found 15 tpr and 15 pull force files in tpr-files.dat and pullf-files.dat, respectively
Reading 7 tpr and pullf files
Automatic determination of boundaries...
Reading file umbrella.00.tpr, VERSION 5.1.4 (single precision)
-------------------------------------------------------Program gmx wham, VERSION 5.1.4Source code file: /home/tudor/Downloads/gromacs-5.1.4/src/gromacs/gmxana/gmx_wham.cpp, line: 2097

Fatal error:
Reading pull output with printing of the reference value of the coordinates is currently not supported
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

thank you in advance for any advice
best regardsTudor Vasiliu

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