Using non-standard parameter files: Difference between revisions
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Revision as of 19:41, 16 August 2022
To use non-standard parameter files (restyp.lib, par.lib, top.lib) with the AutoModel class in Modeller 10.0:
- You can specify a non-standard restyp.lib file when creating the Environ object. See the manual page.
- To use non standard parameter and topology files, set the `toplib` and `parlib` members of the automodel object:
#!python env = Environ(restyp_lib_file='myrestyp.lib') a = AutoModel(env, ...) a.toplib = 'mytop.lib' a.parlib = 'mypar.lib' a.make()