********>Bugfix 10: Authors: Terry Lang Date: July 22, 2005 Program: nchemgrid_SA Description: One of the variables in nchemgrid.f is not initialized in the code and therefore does not run properly on Mac OS X platforms. The nchemgrid_SA executable completes, but DOCK cannot process the bmp grid properly and the calculation seg faults. Fix: Make the following changes to the file utilities/GBSA_Grids/schemgrid_SA/nchemgrid.f. *** nchemgrid.f 25 Mar 2005 18:50:49 -0000 1.1 --- nchemgrid.f 21 Jul 2005 18:38:02 -0000 *************** *** 168,173 **** --- 168,174 ---- c read (1, *) cutoff c write (2, *) 'cutoff distance for energy calculations:' c write (2, *) cutoff + cutoff = 0 cutsq=cutoff*cutoff grdcut=int(cutoff/grddiv + 1.0)