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How to install GROMACS on windows using cygwin ?

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aitouna

发布时间: 2020-12-16 18:38

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本帖最后由 aitouna 于 2020-12-16 18:43 编辑 I would like to ask about the conditions to install GROMACS on windows using cygwin, but i found that the guide installation of GROMACS required Cmake 3. ...

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sobereva 发表于 Post on 2021-1-2 20:18:26

aitouna 发表于 2020-12-26 20:56
Dear Professor,
Hello, for the first step concerning the FFTW , I used the command cmake . -DCMAKE ...

You do not need to manually compile it. I suggest directly using my pre-compiled GROMACS. Just download and use.

sobereva 发表于 Post on 2020-12-16 22:58:38

You do not need to use Cygwin. A much better choice is directly using the native Windows version of GROMACS compiled by me, see the end of the following article. My compiled version also supports CUDA acceleration.
GROMACS的原生Windows版的编译和安装方法（支持GPU加速）
http://sobereva.com/458

liuyuje714 发表于 Post on 2020-12-16 18:48:56

Running gromacs on Windows please see blog http://bbs.keinsci.com/thread-11848-1-1.html

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