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2014-2 Schrodinger Python API
Package schrodinger :: Package application :: Package desmond :: Module deltaE
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Module deltaE

Functions [hide private]
 
gen_dE_files(fname, out_fname)
'fname' is the output deltaE file.
Variables [hide private]
  __package__ = 'schrodinger.application.desmond'
Function Details [hide private]

gen_dE_files(fname, out_fname)

 

'fname' is the output deltaE file. 'out_fname' is a dict: Key = replica index (0-based); value = gibbs' .dE file name.


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2014-2 Schrodinger Python API
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