Correction Author: Bill Ross
Correction Date: 11/11/91

Programs: minmd and sander

Severity: unknown

Problem:  The NDFMIN variable was being set automatically to 6 when
     a belly run was specified. According to the documentation this
     should have no effect, but this has not been investigated recently.
     For consistency and safety, proper setting is now provided.

Fix: edit  minmd/mdread.f and sander/mdread.f and make the segment
     between the initial 3 IF (IFTRES.. statements and the last 2 
     IF statements as follows (both files are the same at this point):


      IF(IFTRES.LE.1) IPTSOL = IPTRES
      IF(IFTRES.EQ.1) IPTRES = 0
      IF(IFTRES.EQ.1) IPTATM = 0
c
      if (ntcm.ne.0 .or. nscm.gt.0) then
          ndfmin = 6
      else
          ndfmin = 0
      endif
      if(ibelly .gt. 0) then
c          --- No COM Motion Removal, ever. ---
           ntcm = 0
           nscm = 9999999
           ndfmin = 0
      endif
c     --- inhibit unwanted COM M.R. on multiple runs --- 
      if(nscm .le. 0) nscm = 9999999
      IF(NTWEM.LE.0) NTWEM = 9999999