Merge pull request #616 from votca/no_md

md -> rst
votca · Nov 30, 2020 · 6859263 · 6859263
2 parents a2bc94d + d7adef3
commit 6859263
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diff --git a/CHANGELOG.rst b/CHANGELOG.rst
@@ -31,6 +31,7 @@ Version 2021-dev
 -  Fixed memory leaks in tests and neighbourlist (#602)
 -  format with clang-11 (#604)
 -  use unique_ptr in factory (#603)
+-  Convert remaining md files to rst (#616)
 
 Version 1.6.3 (released XX.08.20)
 =================================

diff --git a/src/tools/references/spce/3mols/README.md → src/tools/references/spce/3mols/README.rst b/src/tools/references/spce/3mols/README.md → src/tools/references/spce/3mols/README.rst
diff --git a/src/tools/references/spce/sources/README.md b/src/tools/references/spce/sources/README.md
diff --git a/src/tools/references/spce/sources/README.rst b/src/tools/references/spce/sources/README.rst
@@ -0,0 +1,8 @@
+Gromacs input data, together with spc216.gro from Gromacs distributions.
+
+.. code-block:: shell
+
+   cp /usr/share/gromacs/top/spc216.gro .
+   gmx grompp -c spc216.gro
+   gmx mdrun
+   csg_map --top topol.tpr --trj traj.trr --first-frame=2 --no-map --out frame.dump --force