Re: [gmx-users] Version problem

I typed an extra space that shouldn't be there. $ find / -name mdrun* > mdrun_search On Thu, Nov 6, 2014 at 5:03 PM, Johnny Lu wrote: > can look for all files with name mdrun by > > $ find / -name mdrun * > mdrun_search > and then > $ cat mdrun_search > > > On Thu, Nov 6, 2014 at 7:25 AM, Erik

Re: [gmx-users] Version problem

can look for all files with name mdrun by $ find / -name mdrun * > mdrun_search and then $ cat mdrun_search On Thu, Nov 6, 2014 at 7:25 AM, Erik Marklund wrote: > Hi, > > 'which mdrun' only tells you the location of the mdrun you're currently > using and is no good here. How did you install 5.

Re: [gmx-users] Version problem

Hi, Well, you need to find out where you installed it (default /usr/local/bin). Using "which" or "locate" will only find the version from your OS distribution. Since you plan to use 5.0.2, you should uninstall the OS version using the package manager, to save yourself from further accidental confu

Re: [gmx-users] Version problem

Hi, 'which mdrun' only tells you the location of the mdrun you're currently using and is no good here. How did you install 5.0.2? The CMake files should tell you where installation directory is. Kind regards, Erik On 6 Nov 2014, at 11:43, sa...@physics.iisc.ernet.in wrote: > > tried "which m

Re: [gmx-users] Version problem

tried "which mdrun" showing the path /usr/bin/mdrun, which v4.6.5, however I have downloaded v5.0.2.tar.gz and used for installation. > try to find mdrun program by typing this command on terminal: > "which mdrun" > will show path of mdrun program where it located. > On Nov 6, 2014 4:01 PM, wro

Re: [gmx-users] Version problem

try to find mdrun program by typing this command on terminal: "which mdrun" will show path of mdrun program where it located. On Nov 6, 2014 4:01 PM, wrote: > Dear Dr. Carsten Kutzner, > I am unable to find the "gmx5/bin/GMXRC" in my machine, > used 'locate' and 'find' to search the locatio

Re: [gmx-users] Version problem

Dear Satya, GMXRC is present in the installation directory. You need to find where you have installed the gromacs 5.0.2. Then locate the bin directory. GMXRC is generally present there. Chandan On Thu, Nov 6, 2014 at 2:00 PM, wrote: > Dear Dr. Carsten Kutzner, > I am unable to find the "

Re: [gmx-users] Version problem

Dear Dr. Carsten Kutzner, I am unable to find the "gmx5/bin/GMXRC" in my machine, used 'locate' and 'find' to search the location. However I have source the following: source /usr/share/gromacs/shell-specific/GMXRC.bashrc Without this also mdrun is running. I am definitely missing something.

Re: [gmx-users] Version problem

On 06 Nov 2014, at 07:15, sa...@physics.iisc.ernet.in wrote: > Dear all, > I am new to GROMACS, just finish installation of v5.0.2, started reading > online manual, as instructed executed the command: mdrun -version and the > printout pasted below. > > It is printing GROMACS version 4.6.5, howev

[gmx-users] Version problem

Dear all, I am new to GROMACS, just finish installation of v5.0.2, started reading online manual, as instructed executed the command: mdrun -version and the printout pasted below. It is printing GROMACS version 4.6.5, however I have installed version 5.0.2. What is the problem? Regards, Satyabrat