********>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