********> bugfix.48 Author: JWCaldwell Reported by: PCieplak Date: 9/9/91 Program: Minmd Severity: Moderate Problem: In indip and polder, SLTIMG is used backwards. Affects: Only affects simulations using polar option with periodic boundary conditions when solute is very mobile. Fix: In indip.f and polder.f replace sltimg = (imgslt .eq. 1) with sltimg = (imgslt .le. 0) ----------------------context diffs: *** OLD indip.f --- NEW indip.f *************** *** 64,70 **** C trnoct = (ntm .ne. 0) obliq = (ntb .lt. 0) ! sltimg = (imgslt .eq. 1) ZERO = 0.0d0 one = 1.0d0 three = 3.0d0 --- 64,70 ---- C trnoct = (ntm .ne. 0) obliq = (ntb .lt. 0) ! sltimg = (imgslt .le. 0) ZERO = 0.0d0 one = 1.0d0 three = 3.0d0 ---------------------- *** OLD polder.f --- NEW polder.f *************** *** 69,75 **** c f = derivatives (3,natom) c vt = virials? c ! sltimg = (imgslt .eq. 1) trnoct = (ntm .ne. 0) obliq = (ntb .lt. 0) zero = 0.0d0 --- 69,75 ---- c f = derivatives (3,natom) c vt = virials? c ! sltimg = (imgslt .le. 0) trnoct = (ntm .ne. 0) obliq = (ntb .lt. 0) zero = 0.0d0 ---------------------- Workarounds: none ---