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--- tools:gromacs [2021/10/12 08:40] – created oschuett
+++ tools:gromacs [2022/09/14 10:05] (current) – oschuett
@@ Line 3: / Line 3: @@
 {{ :tools:gromacs_logo.png?nolink&400 |}}
-  * [[https://gitlab.com/gromacs/gromacs/-/blob/master/docs/install-guide/index.rst | Installation guide]]
+  * [[ https://manual.gromacs.org/current/install-guide/index.html#building-with-cp2k-qm-mm-support | Installation guide]]
-  * [[https://gitlab.com/gromacs/gromacs/-/blob/master/docs/reference-manual/special/qmmm.rst | Manual]]
+  * [[https://manual.gromacs.org/current/reference-manual/special/qmmm.html | Manual]]
-  * [[https://github.com/bioexcel/gromacs_cp2k_tutorial | Tutorial]]
+  * [[https://github.com/bioexcel/gromacs-2022-cp2k-tutorial | Tutorial]]
   * [[https://docs.bioexcel.eu/2021-04-22-qmmm-gromacs-cp2k/| Workshop]] with [[https://www.youtube.com/playlist?list=PLzLqYW5ci-2dvlvgySfQDu-TKkr3fHSIA | recordings]]
   *  [[https://bioexcel.eu/software/cp2k/ | BioExcel Project]]
@@ Line 13: / Line 13: @@
 <code>
 ; CP2K QMMM parameters
-qmmm-active              = true
+qmmm-cp2k-active              = true
-qmmm-qmgroup             = QMatoms
+qmmm-cp2k-qmgroup             = QMatoms
-qmmm-qmmethod            = PBE
+qmmm-cp2k-qmmethod            = PBE
-qmmm-qmcharge            = 0
+qmmm-cp2k-qmcharge            = 0
-qmmm-qmmultiplicity      = 1
+qmmm-cp2k-qmmultiplicity      = 1
 ; Other mdp parameters....
 </code>