********> bugfix.49 Author: Bill Ross Date: Sept 11, 1999 Programs: Leap -- 'solvateOct' upgrade version which was released after the Oxford Molecular CD was made. Severity: Moderate Description: When using solvateOct with a single cutoff, the expansion of the x,y,z boundaries to satisfy the diagonal cut is wrong, since a Y-coordinate is improperly used as a Z coordinate when calculating the scale factor. Fix: Make the following change to tools.c: ----------------------------------------------------------------------------- *** OLD tools.c --- NEW tools.c *************** *** 2123,2129 **** if ( dZ > dZmax ) dZmax = dZ; else if ( dZ < dZmin ) ! dZmin = dY; } /* --- 2123,2129 ---- if ( dZ > dZmax ) dZmax = dZ; else if ( dZ < dZmin ) ! dZmin = dZ; } /* -----------------------------------------------------------------------------