From 410a4a6a79991362283094760a1500a33cb56936 Mon Sep 17 00:00:00 2001 From: Leng <30428021+blleng@users.noreply.github.com> Date: Mon, 16 Jun 2025 13:07:23 +0800 Subject: [PATCH] PUSH NOTE : compile-gmx-with-cp2k.md --- content/notes/compile-gmx-with-cp2k.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/content/notes/compile-gmx-with-cp2k.md b/content/notes/compile-gmx-with-cp2k.md index 12e50c3..d1b19cf 100644 --- a/content/notes/compile-gmx-with-cp2k.md +++ b/content/notes/compile-gmx-with-cp2k.md @@ -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 @@ -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 \