[gmx-users] G_ENERGY COMMAND

gozde ergin gozdeeergin at gmail.com
Fri Jan 13 10:55:45 CET 2017


gmx energy should be the correct command.
> On 13 Jan 2017, at 10:53, Subashini .K <subashinik at hotmail.com> wrote:
> 
> 
> Hi gromacs users,
> 
> 
> I am using gromacs in windows 7, 64 bit.
> 
> 
> When the following command was given,
> 
> 
> gmx g_energy -f ener.part0001.edr -o vol.xvg
> 
> 
> 
> the error was
> 
> 
> GROMACS:      gmx, VERSION 5.1.1
> Executable:   /usr/local/gromacs/bin/gmx.exe
> Data prefix:  /usr/local/gromacs
> Command line:
>  gmx g_energy -f ener.part0001.edr -o vol.xvg
> 
> -------------------------------------------------------
> Program:     gmx, VERSION 5.1.1
> Source file: src/gromacs/commandline/cmdlinemodulemanager.cpp (line 376)
> Function:    gmx::CommandLineModuleInterface* gmx::CommandLineModuleManager::Impl::processCommonOptions(gmx::CommandLineCommonOptionsHolder*, int*, char***)
> 
> Error in user input:
> 'g_energy' is not a GROMACS command.
> 
> How to fix it? What is the correct command?
> 
> 
> Thanks,
> Subashini.K
> 
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