********> bugfix.69 Author: David A. Pearlman Date: 5/4/95 Programs: GIBBS Severity: Slight Problem: The output file is full of the following warning: 'The torsional angle not 0 or 180 for a given a-b-c-d.' which fills up disk. Only occurs when there are torsions in the perturbed group for which the phase angle is neither 0 nor 180. Fix: Make the following change to routine PEPHI in file gibb.f: -------------------------------------------- Old: LOGICAL DIELD New: LOGICAL DIELD,NEWEN Old: DATA SMALL/0.00001D0/ New: DATA SMALL/0.00001D0/ DATA NEWEN/.TRUE./ SAVE SMALL,NEWEN Old: WRITE(6,1530) I3,J3,K3,L3,PN(IC),PHASE(IC) New: IF (NEWEN) WRITE(6,1530) I3,J3,K3,L3,PN(IC),PHASE(IC) NEWEN = .false. --------------------------------------------