February 20th, 2012

 *********************
  Ante_R.E.D.-1.5
 *********************

  Waiting for the first bug report...


 *********************
   R.E.D.-III.5
 *********************

 - February, 24th 2012: in some rare cases total charge correction fails

 Replace lines in 3665, 4291, 6025, 6128 and 7084:
 
 0.000000000000001

 by

 0.00000000001

 Replace in lines 3632, 3637, 3642, 3647, 3652, 3657, 3662, 4258, 4263, 4268, 
                  4273, 4278, 4283, 4288, 5992, 5997, 6002, 6007, 6012, 6017, 
                  6022, 6095, 6100, 6105, 6110, 6115, 6120, 6125, 7051, 7056, 
                  7061, 7066, 7071, 7076 and 7081
 
 abs( $round   'or'   abs($round 
 
 by 
 
 abs(abs($round)

 Considering the number of lines to be modified, the version R.E.D. III.51 with
 this bug fix included is available for download within the R.E.D. III.51 tools


- October, 1st 2012: Gaussian 09 version B.01 does not generate the molecular 
  electrostatic potential in its output as it should do (this bug is well 
  documented; see http://ambermd.org/bugfixesat.html).
  Users should simply avoid using this g09 B.01 version with R.E.D. III.X.
  R.E.D. III.5 did not report this problem when interfacing Gaussian 09 B.01.

  A new procedure has been added in R.E.D. III.52 that checks the presence of 
  the molecular electrostatic potential in the Gaussian output.

  No patch is provided for R.E.D. III.51 for this new feature.
  Instead download the R.E.D. III.52 tools.


- October, 1st 2012: The GAMESS installation has changed in the version 
  May 2012, R1.

  A new procedure has been added in R.E.D. III.52 that handles this new 
  installation procedure and the new variables created.
  In particular a 'USERSCR' scratch directory is now defined in the 'rungms' 
  script. The generation of the 'PUNCH' file in this USERSCR directory is 
  defined in the new 'gms-files.csh' file. 

  No patch is provided for R.E.D. III.51 for this new feature. 
  Instead download the R.E.D. III.52 tools.


 *********************
   X_R.E.D.-III.5
 *********************

  Waiting for the first bug report...


 *********************
   Tutorial
 *********************

  Waiting for the first bug report...


 *********************
   Scripts
 *********************

- February, 24th 2012: Script check-TotalCharge.csh

 Replace line 18:

 else if (-d "Data-R.E.D.-Server") then

 by

 else if (-d "Data-R.E.D.Server") then

 The corresponding version check-TotalCharge-1.01.csh with this bug fix is available 
 for downlaod in the R.E.D. III.51 tools


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   Last update of this page: October 1st, 2012