Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-11 Thread ZHANG Cheng
Dear Justin, Mark and Frank, Thank you so much for explaining it. Now I think I understand it. I was confusing because I thought, I should install/compile the xorg-dev by using "cmake". But actually, what you meant is, use "cmake" to compile Gromacs after installing xorg-dev. I tried as

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-10 Thread Frank Zhou
Hello Cheng, You can firstly install libX11-devel by yourself: # sudo apt-get install libx11-dev (in CentOS: sudo yum install libX11-devel) Then "cd build" and run: # cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_X11=on Thanks, Frank On 5/10/17, 2:33 PM, "Mark

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-10 Thread Justin Lemkul
On 5/10/17 4:27 PM, ZHANG Cheng wrote: Dear Mark, Yes, Justin gave me a link for Gromacs-2016.3, but not the link for xorg-dev. Because you installed the necessary X11 components via apt-get. Do you mean, I should uninstall my current Gromacs 5.0.4, then install the Gromacs-2016.3, so

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-10 Thread ZHANG Cheng
Dear Mark, Yes, Justin gave me a link for Gromacs-2016.3, but not the link for xorg-dev. Do you mean, I should uninstall my current Gromacs 5.0.4, then install the Gromacs-2016.3, so that I can use the "gmx view" in the Gromacs-2016.3 on my Ubuntu? Cheng -- Original

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-10 Thread Mark Abraham
Hi, Justin gave you a download link. Please try it. Mark On Wed, 10 May 2017 20:50 ZHANG Cheng <272699...@qq.com> wrote: > Dear Justin, > Thank you for your link. I know how to install the Gromacs based on your > link. But do you know where I can download the tar.gz file so that I can >

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-10 Thread ZHANG Cheng
Dear Justin, Thank you for your link. I know how to install the Gromacs based on your link. But do you know where I can download the tar.gz file so that I can compile it and then use "gmx view"? Thank you. Cheng -- Original -- From: "ZHANG

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-10 Thread Justin Lemkul
On 5/10/17 11:27 AM, ZHANG Cheng wrote: Dear Mark Abraham, Thank you very much for your updating. Sorry, could you please tell me where can I download the cmake file, or which command line to use, in order to compiling & installing? I have tried the below and they both worked, but "gmx

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-10 Thread ZHANG Cheng
Dear Mark Abraham, Thank you very much for your updating. Sorry, could you please tell me where can I download the cmake file, or which command line to use, in order to compiling & installing? I have tried the below and they both worked, but "gmx view ??" still not work, with the same

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-09 Thread Mark Abraham
Hi, Just like all normal installations of GROMACS, you need to run cmake from your build directory and tell it where the source directory is. The ".." works if the source is the parent directory, but if you're not following eg the installation guide, then you'll have to adapt! Mark On Tue, 9

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-09 Thread ZHANG Cheng
Dear Gromacs and Mark Abraham, Sorry, I am not familiar with compiling issue. I installed xorg-dev by: sudo apt-get install xorg-dev Then, I type cmake .. -DGMX_X11=on But I was told: CMake Error: The source directory "/home/lanselibai/Cheng/gromacs/... ..." does not appear to contain

Re: [gmx-users] How to use "gmx view" on Ubuntu?

2017-05-09 Thread Mark Abraham
Hi, You'll need to install X11 headers and libraries (the package is called xorg-dev, off the top of my head), and use cmake .. -DGMX_X11=on before compiling & installing. Mark On Tue, May 9, 2017 at 8:59 PM ZHANG Cheng <272699...@qq.com> wrote: > Dear Gromacs, > I am running Gromacs 5.0.4 on

[gmx-users] How to use "gmx view" on Ubuntu?

2017-05-09 Thread ZHANG Cheng
Dear Gromacs, I am running Gromacs 5.0.4 on Ubuntu 14.04.1 LTS. When I run "gmx view ..." as below: gmx view -f dppc-md.xtc -s dppc-md.tpr I got the following: Compiled without X-Windows - can not run viewer. Can I ask how to use "gmx view" on Ubuntu? Thank you. Yours sincerely