[gmx-users] tpbconv tool change - gromacs 5.0

Justin Lemkul jalemkul at vt.edu
Mon Jul 28 13:52:30 CEST 2014

On 7/28/14, 4:45 AM, mattia B. wrote:
> Dear all,
> I recently moved from gromacs 4.6 to version 5.0.
> When I run the command tpbconv, I get the message "This tool has been removed from Gromacs 5.0". The "tool changes for 5.0" page says the command has been renamed in "gmx convert-tpr".
> However, I cannot find this executable in my gromacs bin directory, or anywhere among the gromacs directories.
> When I do a "locate" I get the following, nothing being the executable I am looking for:
> /usr/local/gromacs-5.0/build/src/gromacs/CMakeFiles/libgromacs.dir/tools/convert_tpr.c.o
> /usr/local/gromacs-5.0/share/gromacs/html/programs/gmx-convert-tpr.html
> /usr/local/gromacs-5.0/share/html/final/programs/gmx-convert-tpr.html
> /usr/local/gromacs-5.0/share/man/man1/gmx-convert-tpr.1
> /usr/local/gromacs-5.0/src/gromacs/tools/convert_tpr.c
> /usr/local/gromacs-5.0/src/gromacs/tools/convert_tpr.h
> Any suggestions? Should I compile it separately?

All Gromacs tools are now modules of the "gmx" binary.  Just execute:

gmx convert-tpr

with whatever options you need.  Get the normal help information with

gmx help convert-tpr



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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