Maybe I'm a bit late answering this question, but I recommend doing the following for Windows 10:

1) Install the Linux Bash Shell on Windows 10 (https://www.howtogeek.com/249966/how-to-install-and-use-the-linux-bash-shell-on-windows-10/)

2) Now you can perform an installation as it would be done on ubuntu (http://manual.gromacs.org/documentation/2018/install-guide/index.html)

Before installing gromacs you will probably have to do the following:

> sudo apt-get update && sudo apt-get upgrade

> sudo apt-get install gcc

Cheers!!

Probably the best idea is to use cygwin

http://megaddl.pcriot.com/installing-gromacs-5-1-1-in-windows-using-cygwin/

1. Download the GROMACS and unzip.

2. Run CMake GUI

3. Set the source code directory in box "Where is the source code"

If you unzip the GROMACS in C:\Users\Username\Documents\Gromacs, set the directory as it is.

4. Set a different location to put the built GROMACS in box "Where to build the binaries"

For example, you can make a directory named "build", and you set this location.

5. Click Configure. It will take serveral minutes.

To ask the select the generator, find the generator you have installed. If you want to configure 64bit GROMACS, you should select the 64-bit compiler.

6. Configure will stop because it cannot find FFTW. Then, check the "Advanced" box

** If you want to use fftw library, follow this procedure.

6-1. Find out FFTWF_INCLUDE_DIR and FFTWF_LIBRARY option.

6-2. Select FFTW_INCLUDE_DIR as the directory that contains the fftw library file

6-3. Select FFTWF_LIBRARY as "libfftw3f-3.lib".

** If you want to use mkl library, follow this procedure.

6-1. Find the GMX_FFT_LIBRARY, and select mkl

6-2. Click the configure. Then it will stop

6-3. You can find out the MKL_INCLUDE_DIR and MKL_LIBRARIES. Set the MKL_INCLUDE_DIR as the mkl include directory. In my case, it is C:/Program Files (x86)/IntelSWTools/compilers_and_libraries_2016.3.207/windows/mkl/include/

6-4. Set the MKL_LIBRARIES. In my case, for the 32bit system, C:/Program Files (x86)/IntelSWTools/compilers_and_libraries_2016.3.207/windows/mkl/lib/ia32_win/mkl_rt.lib, for the 64bit system, C:/Program Files (x86)/IntelSWTools/compilers_and_libraries_2016.3.207/windows/mkl/lib/intel64_win/mkl_rt.lib

** This is optional part

7-1. If you want to configure the QM/MM feature, find the GMX_QMMM_PROGRAM and select the QM program you want.

7-2. If you want to use GPU computation, find the GMX_GPU and check the box.

7-3. If you want to enable the MPI, find the GMX_MPI and check the box. (You need to install MS MPI or other software)

8. Click Configure button.

9. After finishing configure, click Generate button.

10. Open the visual studio, and find the ALLBUILD project in the main build directory.

11. Build the project. It will take several minutes. (Note: The default build option in the visual studio is debug. If you want to make release build (for another computer) Build-configuration manager-Active solution configuration as Release)

12. After build the project, you may need to move the some files in the proper location. I set the default location as C:\Gromacs\

13. Make the directory bin, and copy the gmx.exe to the C:\Gromacs\bin

14. Make the directory share, and make the directory gromacs in share directory, i.e. C:\Gromacs\share\gromacs\

15. Copy the all contents in the share directory in the unzipped directory. i.e., template, top, etc.

16. Make the *.bat file, which contains this contents

@echo off

set PATH=C:\Gromacs\bin;%PATH%

set GMXDATA=C:\Gromacs\share\gromacs

Hi, I've been using the recommended websites to install Gromacs on Windows..however, I have problems when configuring the CMake..

Where can I find fftw3f library named libfftw3f?

Pre-build gromacs for windows is available the below:

https://staff.aist.go.jp/makoto-yoneya/MDonWINPC/

Visual Studio binary zip files

gromacs-2016.4 GPU enabled ("nvml.dll" binary included)

This might not be fully optimized for your PC but very easy to install.

Maybe I'm a bit late answering this question, but I recommend doing the following for Windows 10:

1) Install the Linux Bash Shell on Windows 10 (https://www.howtogeek.com/249966/how-to-install-and-use-the-linux-bash-shell-on-windows-10/)

2) Now you can perform an installation as it would be done on ubuntu (http://manual.gromacs.org/documentation/2018/install-guide/index.html)

Before installing gromacs you will probably have to do the following:

> sudo apt-get update && sudo apt-get upgrade

> sudo apt-get install gcc

Cheers!!

Hi, please see the following link

http://machine-phase.blogspot.com/2009/04/how-to-install-gromacs-on-windows-vista.html

Web page for pre-build gromacs for native windows was closed.

For windows 64bit, I recommend use the WSL (Windows Subsytem for Linux).

For the way to install the WSL, you can get many information using web search.

If you install, WSL and linux distro, you can install gromacs described in INSTALL gromacs tar ball

First download the Mobaxterm app form google, in your PC and then submit the ID of your login page and password.

1. Install Linux subsystem

https://www.youtube.com/watch?v=Cvrqmq9A3tA

2. Install essential environment

> sudo apt-get update && sudo apt-get upgrade

> sudo apt-get install gcc

> sudo apt-get install cmake

> sudo apt-get install build essential

> sudo apt-get install libfftw3-dev

3. Install Gromacs

http://manual.gromacs.org/documentation/2018/install-guide/index.html

All done

https://www.youtube.com/watch?v=S6n5dRVMM7w&t=292s

Download it from following link:

https://winmostar.com/en/gmx4wm_en.html

It is basically a cygwin installer with GROMACS environment already configured in it.

I installed GROMACS on windows 10, 64 bit system. Can anyone tell me how should I write source PATH? By writing "source /usr/local/gromacs/bin/GMXRC" the gmx command is not found

I have prepared pre-built windows binaries of gromacs.

http://tmacchant3.starfree.jp/gromacs/win/

umi rafiah Shukri

Where can I find fftw3f library named libfftw3f?

http://www.fftw.org/install/windows.html

Download dll and def files and make lib files according to instruction.

I updated pre-built windows binaries of gromacs. (MSVC build is added)

http://tmacchant3.starfree.jp/gromacs/win/

And way to build Gromacs on MSVC is described.