$VAR1 = {
          'object' => {
                        'TIP3P' => {
                                     'inherit' => 'water',
                                     'id' => '1',
                                     'IO' => {
                                               'coor' => ' in coor/coor_water_box.xml'
                                             },
                                     'type' => 'object'
                                   },
                        '1vii' => {
                                    'inherit' => 'protein',
                                    'id' => '0',
                                    'sequence' => 'file data/seq_1vii.xml',
                                    'IO' => {
                                              'pdb' => ' in coor/1vii_initial.pdb'
                                            },
                                    'type' => 'object'
                                  }
                      },
          'task' => {
                      'getsystem' => {
                                       'id' => '0',
                                       'solvation' => 'sphere radius 30.0 distance 1.8',
                                       'IO' => {
                                                 'log' => ' out log/log_1vii_water_gen.out',
                                                 'str' => ' out str/str_1vii_water.xml',
                                                 'coor' => ' out coor/coor_1vii_water.xml '
                                               },
                                       'type' => 'generate',
                                       'geometry' => 'center (0,0,0)'
                                     },
                      'em1' => {
                                 'inherit' => 'em-conjugate',
                                 'forcefield' => {
                                                   'inherit' => 'vacuum'
                                                 },
                                 'id' => '1',
                                 'constraint' => 'fix object 1',
                                 'IO' => {
                                           'log' => ' out log/log_1vii_water_em1.out ',
                                           'coor' => ' out coor/coor_1vii_water_em1.xml ',
                                           'ener' => ' out ener/1vii_water_em1.xml '
                                         },
                                 'type' => 'minimize',
                                 'step' => '2000'
                               },
                      'em2' => {
                                 'inherit' => 'em-conjugate',
                                 'forcefield' => {
                                                   'inherit' => 'vacuum'
                                                 },
                                 'id' => '2',
                                 'constraint' => 'heavy object 1 factor 50',
                                 'IO' => {
                                           'log' => ' out log/log_1vii_water_em2.out ',
                                           'coor' => ' out coor/coor_1vii_water_em2.xml ',
                                           'ener' => ' out ener/1vii_water_em2.xml '
                                         },
                                 'type' => 'minimize',
                                 'step' => '2000'
                               },
                      'em3' => {
                                 'inherit' => 'em-conjugate',
                                 'forcefield' => {
                                                   'inherit' => 'vacuum'
                                                 },
                                 'id' => '3',
                                 'gradient' => '0.001',
                                 'IO' => {
                                           'log' => ' out log/log_1vii_water_em3.out ',
                                           'coor' => ' out coor/1vii_water_em3.xml ',
                                           'ener' => ' out ener/1vii_water_em3.xml '
                                         },
                                 'type' => 'minimize',
                                 'step' => '2000'
                               },
                      'prod' => {
                                  'inherit' => 'md-production',
                                  'forcefield' => {
                                                    'inherit' => 'vacuum'
                                                  },
                                  'parallel' => {
                                                  'inherit' => 'fine',
                                                  'branch' => '0'
                                                },
                                  'id' => '7',
                                  'IO' => {
                                            'data' => ' out data/data_1vii_water_prod_$STEP.xml every 50000  ',
                                            'log' => ' out log/1vii_water_prod_$STEP.out every 50000 '
                                          },
                                  'type' => 'dynamics',
                                  'step' => '5000000'
                                },
                      'md1' => {
                                 'inherit' => 'md-heatup',
                                 'forcefield' => {
                                                   'inherit' => 'vacuum'
                                                 },
                                 'id' => '4',
                                 'constraint' => 'fix object 1',
                                 'IO' => {
                                           'log' => ' out log/log_1vii_water_md1.out ',
                                           'restart' => ' out rest/1vii_water_md1.rest every 2000 ',
                                           'coor' => ' out coor/1vii_water_md1.pdb ',
                                           'ener' => ' out ener/1vii_water_md1.ener '
                                         },
                                 'type' => 'dynamics',
                                 'step' => '50000'
                               },
                      'md2' => {
                                 'inherit' => 'md-equilibrate',
                                 'forcefield' => {
                                                   'inherit' => 'vacuum'
                                                 },
                                 'id' => '5',
                                 'constraint' => 'heavy object 1 factor 50',
                                 'IO' => {
                                           'log' => ' out log/1vii_water_md2.out ',
                                           'restart' => ' out rest/1vii_water_md2.rest every 2000 ',
                                           'coor' => ' out coor/1vii_water_md2.pdb ',
                                           'ener' => ' out ener/1vii_water_md2.ener '
                                         },
                                 'type' => 'dynamics',
                                 'step' => '50000'
                               },
                      'md3' => {
                                 'inherit' => 'md-equilibrate',
                                 'forcefield' => {
                                                   'inherit' => 'vacuum'
                                                 },
                                 'id' => '6',
                                 'IO' => {
                                           'log' => ' out log/1vii_water_md3.out ',
                                           'restart' => ' out rest/1vii_water_md3.rest every 2000 ',
                                           'coor' => ' out coor/1vii_water_md3.pdb ',
                                           'ener' => ' out ener/1vii_water_md3.ener '
                                         },
                                 'type' => 'dynamics',
                                 'step' => '150000'
                               },
          'author' => 'feng zhou',
          'include' => {
                         'cluster' => {
                                        'id' => '2',
                                        'file' => 'data/cluster_template.xml'
                                      },
                         'forcefield' => {
                                           'id' => '0',
                                           'file' => 'data/forcefield_template.xml'
                                         },
                         'md' => {
                                   'id' => '3',
                                   'file' => 'data/md_template.xml'
                                 },
                         'objects' => {
                                        'id' => '1',
                                        'file' => 'data/objects_template.xml'
                                      }
                       },
          'name' => 'XML simulation test'
        };