Changeset 933 in parammd


Ignore:
Timestamp:
Jun 28, 2016, 2:13:40 PM (6 years ago)
Author:
alexey
Message:

output pdb correction

File:
1 edited

Legend:

Unmodified
Added
Removed
  • bin/parammd.py

    r932 r933  
    660660#################################################################
    661661base_dir = json_variables[ '_base_directory' ]
    662 output_basename = 'step1_pdbreader'
     662
     663output_basename = ''
     664
     665if 'add_waterbox' in json_variables:
     666    output_basename = 'step2_solvator'
     667else:
     668    output_basename = 'step1_pdbreader'
    663669
    664670outpdb = str(base_dir) + "/" + output_basename + ".pdb"
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