********> bugfix.12 Author: Dave Case Date: 5/19/02 Programs: anal Severity: severe Description: The getcmn() routine does not correctly read in the new format for restart files. Fix: Make the following change to amber7/src/anal/getcmn.f ----------------------------------------------------------------------------- *** getcmn.f 2000/10/24 19:55:34 7.1 --- getcmn.f 2002/05/20 01:22:31 *************** *** 27,32 **** --- 27,33 ---- COMMON/RUNHED/ITITL(20),ITITL1(20) C DIMENSION X(*),BOX(3) + character*80 line C lun = 21 NR3 = 3*NR *************** *** 45,51 **** WRITE(6,9108) GOTO (75,80,83,84,75,84,75,84,75),NTX 75 READ(lun,9008) ITITL1 ! READ(lun,9018) NATOM IF(NATOM.NE.NR) GOTO 200 READ(lun,9028) (X(I),I = 1,NR3) IF(NTX.EQ.1) GOTO 81 --- 46,57 ---- WRITE(6,9108) GOTO (75,80,83,84,75,84,75,84,75),NTX 75 READ(lun,9008) ITITL1 ! read(lun,'(a80)') line ! if( line(6:6).eq.' ' ) then ! this is an old, i5 file ! READ(line,'(i5)') NATOM ! else ! assume a new, i6 file ! READ(line,'(i6)') NATOM ! end if IF(NATOM.NE.NR) GOTO 200 READ(lun,9028) (X(I),I = 1,NR3) IF(NTX.EQ.1) GOTO 81 ----------------------------------------------------------------------------- Workarounds: Edit the restart file to put the number of atoms in the first five columns of the second line (not the first six columns). Files affected: amber7/src/anal/getcmn.f