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exercises:2016_ethz_mmm:c2h2_bond_energy

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exercises:2016_ethz_mmm:c2h2_bond_energy [2016/02/03 09:54] – external edit 127.0.0.1exercises:2016_ethz_mmm:c2h2_bond_energy [2016/03/04 12:02] sclelia
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 <code> <code>
-you@eulerX ~$ module load new cp2k+you@eulerX ~$ module load cp2k
 </code> </code>
  
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     &FORCEFIELD                 ! This section specifies forcefield parameters     &FORCEFIELD                 ! This section specifies forcefield parameters
       parm_file_name c2h2.top       parm_file_name c2h2.top
-! This file contains force field parameters+! This file contains force field parameters (topology file)
       parmtype AMBER       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)       &SPLINE                   ! This section specifies parameters to set up the splines used in the nonboned interactions (both pair body potential and many body potential)
exercises/2016_ethz_mmm/c2h2_bond_energy.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1