********>Bugfix 4:
Author: Chenglong Li and Ray Luo
Date: 04/20/2004
Programs: pbsa
Description: The program can exit with the error message "PB Bomb in
epsbnd()"; this should not be an error, and should be treated
as a warning instead.
Fix: apply the following patch to amber8/src/pbsa/pb_force.f
------------------------------------------------------------------------------
*** pb_force.f 2004/03/12 08:10:47 1.9
--- pb_force.f 2004/04/21 01:18:03
***************
*** 3508,3515 ****
if ( abs(insas(i,j,k)) == 2 .or. insas(i,j,k) == -1 ) then
clstmp = atmsas(i,j,k)
if ( clstmp == 0 ) then
! write(6, *) 'PB Bomb in epsbnd(): No neighbor found for exposed boundary grid', i, j, k
! call mexit(6,1)
end if
! for a buried reentry grid point, find the atom that marked its neighoring exposed reentry
--- 3508,3515 ----
if ( abs(insas(i,j,k)) == 2 .or. insas(i,j,k) == -1 ) then
clstmp = atmsas(i,j,k)
if ( clstmp == 0 ) then
! ! write(6, *) 'No neighbor found for exposed boundary grid', i, j, k
! nwarn = nwarn + 1
end if
! for a buried reentry grid point, find the atom that marked its neighoring exposed reentry
------------------------------------------------------------------------------
Temporary workaround: none