generating_potentials
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generating_potentials [2016/12/08 09:48] krejcio created |
generating_potentials [2016/12/08 10:27] krejcio |
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| where the input file is in *.xyz *.xsf or *.cube. | where the input file is in *.xyz *.xsf or *.cube. | ||
| - | Or it can be created ... | + | Or it can be created toge ther with an electrostatic force-field: |
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| + | python PATH_TO_YOUR_PROBE_PARTICLE_MODEL/gen_bothFF.py -i YOUR_HARTREE_POTENTIAL -g YOUR_FILE_WITH geometry | ||
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| + | where the -g part is optional, if it is not there, only electrostatic force field is crated. The grid specification are not taken from params.ini, but from the hartree potential file. The flags for the electrostatic potential creation are the same as those introduced at [[http://nanosurf.fzu.cz/wiki/doku.php?id=probe_particle_model]]. | ||
| + | The params.ini do not differ from that at [[http://nanosurf.fzu.cz/wiki/doku.php?id=probe_particle_model]]. | ||
generating_potentials.txt · Last modified: 2017/01/26 14:55 (external edit)
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