hdiff output

r31596/keywords.f 2017-01-21 10:35:15.542250000 +0000 r31595/keywords.f 2017-01-21 10:35:15.842250000 +0000
4869:             OPEPT=.TRUE.4869:             OPEPT=.TRUE.
4870:             CALL READA(OPEP_DUMMY)4870:             CALL READA(OPEP_DUMMY)
4871:             IF (OPEP_DUMMY.EQ.'RNA') THEN4871:             IF (OPEP_DUMMY.EQ.'RNA') THEN
4872:                OPEP_RNAT = .TRUE.4872:                OPEP_RNAT = .TRUE.
4873:                WRITE(*,'(A)') 'keyword> RNA simulation using OPEP'4873:                WRITE(*,'(A)') 'keyword> RNA simulation using OPEP'
4874:             ELSE4874:             ELSE
4875:                WRITE(*,'(A)') 'keyword> Protein simulation using OPEP'4875:                WRITE(*,'(A)') 'keyword> Protein simulation using OPEP'
4876:             ENDIF4876:             ENDIF
4877:             IF (.NOT.ALLOCATED(ATMASS)) ALLOCATE(ATMASS(NATOMS))4877:             IF (.NOT.ALLOCATED(ATMASS)) ALLOCATE(ATMASS(NATOMS))
4878:             CALL OPEP_INIT(NATOMS,Q(1:3*NATOMS),ATMASS(1:NATOMS),OPEP_RNAT)4878:             CALL OPEP_INIT(NATOMS,Q(1:3*NATOMS),ATMASS(1:NATOMS),OPEP_RNAT)
4879:             IF (NITEMS == 3) THEN 
4880:                CALL READA(OPEP_DUMMY) 
4881:                IF (OPEP_DUMMY.EQ.'start') THEN 
4882:                   IF (FILTH2 .NE. 0) THEN 
4883:                      WRITE(OTEMP, *) FILTH2 
4884:                      WRITE(OSTRING,'(A)') TRIM(ADJUSTL(AMBERSTR))//'.'//TRIM(ADJUSTL(OTEMP)) 
4885:                      WRITE(*,*) 'ostring=', OSTRING 
4886:                   ELSE 
4887:                      WRITE(OSTRING,'(A)') TRIM(ADJUSTL(AMBERSTR)) 
4888:                   END IF 
4889:                   WRITE(*,'(A)') ' keywords> input coordinates for OPEP system will be read from ', OSTRING 
4890:                   OPEN(UNIT=3827, FILE=TRIM(ADJUSTL(OSTRING)),STATUS='UNKNOWN') 
4891:                   WRITE(*,'(A)') ' keywords> reading in xyz format' 
4892:                   DO I = 1, NATOMS 
4893:                      READ(3827, *) Q(3*I-2:3*I) 
4894:                   END DO 
4895:                   CLOSE(3827) 
4896:                ENDIF 
4897:             ENDIF 
4898: 4879: 
4899:             !use same frequency conversion as AMBER does4880:             !use same frequency conversion as AMBER does
4900:             IF (DUMMY_FRQCONV .EQ. 0.0D0) THEN4881:             IF (DUMMY_FRQCONV .EQ. 0.0D0) THEN
4901:                FRQCONV = 2.045483D134882:                FRQCONV = 2.045483D13
4902:                WRITE(*,*) "keywords> Set frequency conversion factor to the AMBER default value: ", FRQCONV4883:                WRITE(*,*) "keywords> Set frequency conversion factor to the AMBER default value: ", FRQCONV
4903:                WRITE(*,*) "keywords> This corresponds to frequencies being given in radians/s"4884:                WRITE(*,*) "keywords> This corresponds to frequencies being given in radians/s"
4904:             ELSE4885:             ELSE
4905:                FRQCONV = DUMMY_FRQCONV4886:                FRQCONV = DUMMY_FRQCONV
4906:                WRITE(*,*) "keywords> Set frequency conversion factor to the user-specified value: ", FRQCONV4887:                WRITE(*,*) "keywords> Set frequency conversion factor to the user-specified value: ", FRQCONV
4907:             ENDIF4888:             ENDIF


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hdiff - version: 2.1.0