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To use non-standard parameter files (restyp.lib, par.lib, top.lib) with the automodel class in Modeller 9v1:

  • 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:

    •    1 env = environ(restyp_lib_file='myrestyp.lib')
         2 
         3 a = automodel(env, ...)
         4 a.toplib = 'mytop.lib'
         5 a.parlib = 'mypar.lib'
         6 a.make()