X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fenergy.F90;h=ff93fc816439bcb72b732349f64d7a9c305d819c;hb=d4033f3ee5e94f3f22692d69fea70e36f231ebd1;hp=b0a94ad04e2217a7845fc2037945ed4215d5bcf5;hpb=dacd7cb1d5f105094518f9d3b1428287fa9435f0;p=unres4.git

diff --git a/source/unres/energy.F90 b/source/unres/energy.F90
index b0a94ad..ff93fc8 100644
--- 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