********>Bugfix 6 Author: Tom Darden Date: 2/22/00 Programs: sander Severity: when order>4 and polarizable potentials are used, the PME forces may be inaccurate Description: a subroutine argument is incorrect in the bspline routines Fix: apply the following patch to amber6/src/sander/ew_bspline.f *** OLD ew_bspline.f Tue Feb 22 13:51:00 2000 --- NEW ew_bspline.f Tue Feb 22 13:51:28 2000 *************** *** 296,302 **** call one_pass_bspline(array,w,k) enddo c perform standard b-spline differentiation ! call diff_bspline(array,darray,order) c deriv of deriv call diff_bspline(darray,d2array,order) c perform standard b-spline differentiation --- 296,302 ---- call one_pass_bspline(array,w,k) enddo c perform standard b-spline differentiation ! call diff_bspline(array,darray,order-1) c deriv of deriv call diff_bspline(darray,d2array,order) c perform standard b-spline differentiation Temporary workarounds: don't run this sort of calculation :-) Files affected: amber6/src/sander/ew_bspline.f