Author: Dave Case
Date: 04/29/03

Programs: sander

Description: For small periodic systems run at constant pressure, sander
             can fail with an "ewald bomb", "too many subcells" error
             message.

Fix:  apply the following patch to amber7/src/sander/ew_setup.f

------------------------------------------------------------------------------
*** ew_setup.f	2002/07/10 03:56:59	7.114
--- ew_setup.f	2003/04/29 15:35:40
***************
*** 1361,1368 ****
  c
  c set upper bounds for ucell grid dimensions to allow for volume fluctuations
  c
!       nucgmax = nucgrd1*nucgrd2*nucgrd3 * 1.33
!       nucgmin = nucgrd1*nucgrd2*nucgrd3 / 1.33
        if(periodic.eq.0)then
           nucgmax=max(nucgmax,1000)
           nucgmin=max(1,nucgmin)
--- 1361,1368 ----
  c
  c set upper bounds for ucell grid dimensions to allow for volume fluctuations
  c
!       nucgmax = nucgrd1*nucgrd2*nucgrd3 * 1.67
!       nucgmin = nucgrd1*nucgrd2*nucgrd3 / 1.67
        if(periodic.eq.0)then
           nucgmax=max(nucgmax,1000)
           nucgmin=max(1,nucgmin)
------------------------------------------------------------------------------

Temporary workarounds: none