generating_potentials
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generating_potentials [2016/12/29 16:37] krejcio |
generating_potentials [2017/01/02 08:43] krejcio |
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| Or it can be created together with an electrostatic force-field: | Or it can be created together with an electrostatic force-field: | ||
| - | python PATH_TO_YOUR_PROBE_PARTICLE_MODEL/gen_bothFF.py -i YOUR_HARTREE_POTENTIAL -g YOUR_FILE_WITH geometry | + | python PATH_TO_YOUR_PROBE_PARTICLE_MODEL/gen_bothFF.py -i YOUR_HARTREE_POTENTIAL -g YOUR_FILE_WITH_GEOMETRY |
| 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]]. | 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]]. | ||
generating_potentials.txt ยท Last modified: 2017/01/26 14:55 (external edit)
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