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--- exercises:2016_ethz_mmm:c2h2_bond_energy [2016/02/03 09:54] – external edit 127.0.0.1
+++ exercises:2016_ethz_mmm:c2h2_bond_energy [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 13: / Line 13: @@
 <code>
-you@eulerX ~$ module load new cp2k
+you@eulerX ~$ module load cp2k
 </code>
@@ Line 48: / Line 48: @@
     &FORCEFIELD                 ! This section specifies forcefield parameters
       parm_file_name c2h2.top
-! This file contains force field parameters
+! This file contains force field parameters (topology file)
       parmtype AMBER
       &SPLINE                   ! This section specifies parameters to set up the splines used in the nonboned interactions (both pair body potential and many body potential)
@@ Line 117: / Line 117: @@
 # this script uses the functions: m_change m_replace m_getcolumn m_sum m_list
 #
-module load new cp2k
+module load cp2k
 . /cluster/apps/courses/mmm/m_functions.bash
@@ Line 170: / Line 170: @@
 <code>
-you@eulerX c2h2$ module load new cp2k
+you@eulerX c2h2$ module load cp2k
 you@eulerX c2h2$ bsub < c2h2.chain
 </code>
@@ Line 255: / Line 255: @@
 # this script uses the functions: m_change m_replace m_getcolumn m_sum m_list
 #
-module load new cp2k
+module load cp2k
 #. ~/Scripts/myfunctions.bash
 . /cluster/apps/courses/mmm/m_functions.bash