dipole_potential_and_esp
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| dipole_potential_and_esp [2019/11/18 12:02] – admin | dipole_potential_and_esp [2023/08/14 09:02] (current) – admin | ||
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| This wiki explains how to calculate the total electrostatic potential of a bilayer with respect to position in //z//. The dipole potential drop can then be found by subtracting the electrostatic potential of bulk water from the potential at the center of the bilayer. (Using the scripts provided, the electrostatic potential is defined as zero at the center of the bilayer.) | This wiki explains how to calculate the total electrostatic potential of a bilayer with respect to position in //z//. The dipole potential drop can then be found by subtracting the electrostatic potential of bulk water from the potential at the center of the bilayer. (Using the scripts provided, the electrostatic potential is defined as zero at the center of the bilayer.) | ||
| - | * Location of files on DT2: /lustre/jbklauda/scripts/epp_bilayer | + | * Location of files on ZT1: /afs/shell.umd.edu/project/energybio/shared/jbklauda/ |
| - | * Location of files on MARCC: | + | |
| * Matlab is available for free download through TERPware: https:// | * Matlab is available for free download through TERPware: https:// | ||
dipole_potential_and_esp.txt · Last modified: 2023/08/14 09:02 by admin