[gmx-users] tpbconv tool change - gromacs 5.0

[mattia B.]

Dear Justin,
thank you very much for your help!

Have a good day,
Mattia




> Date: Mon, 28 Jul 2014 07:52:15 -0400
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] tpbconv tool change - gromacs 5.0
> 
> 
> 
> 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
> 
> -- 
> ==================================================
> 
> 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
> http://mackerell.umaryland.edu/~jalemkul
> 
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