update features for ORCA6

main
Aditya Wibawa Sakti 3 months ago
parent 70ea631437
commit 410a542883
  1. 1
      lib/cmmde_orca.py

@ -177,6 +177,7 @@ end
# print(' RMSDMETRIC EIGENVALUE',file=f)
#else:
# print(' RMSDMETRIC RMSD',file=f)
if max_entropy == 'True':
print(' MAXENTROPY {}'.format(max_entropy),file=f)
print(' CONFTEMP {}'.format(conf_temp),file=f)
print(' MINDELS {}'.format(min_delta_S),file=f)

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