Editing GROMACS files for the TIP4P/2005 model
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The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision | Your text | ||
Line 7: | Line 7: | ||
** a [[temperature]] of 298 K | ** a [[temperature]] of 298 K | ||
** a [[pressure]] of 1 bar | ** a [[pressure]] of 1 bar | ||
** 8 | ** 8.000.000 [[molecular dynamics]] [[time step]]s | ||
** Van der Waals: 8.5Å cut-off with long range corrections | ** Van der Waals: 8.5Å cut-off with long range corrections | ||
** [[Electrostatics]]: 8.5Å cut-off with [[Ewald sum]] for the long-range corrections | ** [[Electrostatics]]: 8.5Å cut-off with [[Ewald sum]] for the long-range corrections |