changes in ions

[unres4.git] / source / unres / energy.F90

diff --git a/source/unres/energy.F90 b/source/unres/energy.F90
index b0a94ad..ff93fc8 100644 (file)
--- a/source/unres/energy.F90
+++ b/source/unres/energy.F90
@@ -23131,7 +23131,7 @@
 !c! No charges - do nothing
            eheadtail = 0.0d0
 
-          ELSE IF (isel.eq.1 .and. iabs(Qj).eq.1) THEN
+          ELSE IF (isel.eq.1) THEN
 !c! Nonpolar-charge interactions
           if ((itype(i,1).eq.27).or.(itype(i,1).eq.26).or.(itype(i,1).eq.25)) then
             Qi=Qi*2
@@ -23146,7 +23146,7 @@
            eheadtail = epol
 !           eheadtail = 0.0d0
 
-          ELSE IF (isel.eq.3 .and. icharge(itypj).eq.2) THEN
+          ELSE IF (isel.eq.3) THEN
 !c! Dipole-charge interactions
           if ((itype(i,1).eq.27).or.(itype(i,1).eq.26).or.(itype(i,1).eq.25)) then
             Qi=Qi*2
@@ -23160,9 +23160,7 @@
           eheadtail = ECL + elj + epol
 !           eheadtail = 0.0d0
 
-          ELSE IF ((isel.eq.2.and.   &
-               iabs(Qi).eq.1).and.  &
-               nstatecat(itypi,itypj).eq.1) THEN
+          ELSE IF ((isel.eq.2)) THEN
 
 !c! Same charge-charge interaction ( +/+ or -/- )
           if ((itype(i,1).eq.27).or.(itype(i,1).eq.26).or.(itype(i,1).eq.25)) then