********> bugfix.1
Author: Tom Cheatham
Date: 4/11/95

Programs: sander

Severity: moderate

Problem: Ewald: 1) wrong pressure scaling can be used 
                2) wrong box is written to mdcrd

Affects: 1) consequences not characterized 
         2) measuring/viewing mdcrd trajectories 

Cause: 1) Typo on variable name 
       2) Ewald box not passed to trajectory writing routine


Fix:  Make the following change to runmd.f

-----------------------------------------------------------------------------
*** OLD runmd.f
--- NEW runmd.f	
***************
*** 1053,1059
  c
          if (iewald .eq. 1) then
             call redo_ucell(rmu)
!            call ew_pscale(natom,x,winv,nspm,nsp,nspcal)
             if (ntr.gt.0 .and. nrc.gt.0)
       .          call ew_pscale(natom,xc,winv,nspm,nsp,npscal)
          else

--- 1053,1059 -----
  c
          if (iewald .eq. 1) then
             call redo_ucell(rmu)
!            call ew_pscale(natom,x,winv,nspm,nsp,npscal)
             if (ntr.gt.0 .and. nrc.gt.0)
       .          call ew_pscale(natom,xc,winv,nspm,nsp,npscal)
          else
***************
*** 1126,1132
        IF (NTWX.GT.0 .AND. NTWX.LE.NTWXM) THEN
          IF (mod(nstep,ntwx) .eq. 0) then
            CALL CORPAC(X,NRX0,NRX,12,LOUTFM)
!           IF(NTB.GT.0) CALL CORPAC(BOX,1,3,12,LOUTFM)
          END IF
        END IF
  C

--- 1126,1137 -----
        IF (NTWX.GT.0 .AND. NTWX.LE.NTWXM) THEN
          IF (mod(nstep,ntwx) .eq. 0) then
            CALL CORPAC(X,NRX0,NRX,12,LOUTFM)
!           IF(NTB.GT.0) then
!             if ( iewald .eq. 1 ) 
!      .        call find_ucell(box(1),box(2), box(3),
!      .                        alpha,betta,gamma)
!             CALL CORPAC(BOX,1,3,12,LOUTFM)
!           endif
          END IF
        END IF
  C
-----------------------------------------------------------------------------

Temporary workarounds: none

Routines affected: runmd