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Pull-Request [Digital-Garden-6-16-2025] from Obsidian #157

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Merged
blleng merged 1 commit into from
Jun 16, 2025
Merged

Pull-Request [Digital-Garden-6-16-2025] from Obsidian #157

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4 changes: 2 additions & 2 deletions content/notes/compile-gmx-with-cp2k.md
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Expand Up @@ -2,7 +2,7 @@
title: Compiling Gromacs with CP2K for QMMM simulation
description: Recording the process of compiling Gromacs for QMMM simulation with CP2K
date: 2025-06-15T18:49
update: 2025-06-16T00:175
update: 2025-06-16T13:07
tags:
- note/2025/06
- note/molecular-dynamics
Expand Down Expand Up @@ -119,7 +119,7 @@ Here, I use Gromacs version `2024.2`. The compilation process for Gromacs is muc
``` bash
cd /path/to/gromacs
mkdir build
cd build\
cd build/
cmake .. -DCMAKE_PREFIX_PATH=/opt/fftw3310 \
-DCMAKE_INSTALL_PREFIX=/path/to/gromacs/ \
-DBUILD_SHARED_LIBS=OFF \
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