Jmol/Electrostatic potential: Difference between revisions
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molcalc.org, e.g. http://molcalc.org/calculation/cc11a07f2bb4579391c1e0603665f673#/solvation | molcalc.org, e.g. http://molcalc.org/calculation/cc11a07f2bb4579391c1e0603665f673#/solvation | ||
Some theory on the Poisson Boltzmann equation: DOI:10.1002/jmr.577 | |||
<StructureSection load='1F36' size='340' side='right' caption='' scene=''> | <StructureSection load='1F36' size='340' side='right' caption='' scene=''> | ||
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===Example 1: water=== | ===Example 1: water=== | ||
Electrostatic potential of water based on partial charges calculated in molcalc.org. | Electrostatic potential of <scene name='86/864093/Water/1'>water</scene> based on partial charges calculated in molcalc.org. | ||
After loading the .smol file, the following command was used to show the potential: | After loading the .smol file, the following command was used to show the potential: | ||
