working gradient for cations

[unres4.git] / source / unres / data / energy_data.F90

diff --git a/source/unres/data/energy_data.F90 b/source/unres/data/energy_data.F90
index 8bfb4dd..55353dc 100644 (file)
--- a/source/unres/data/energy_data.F90
+++ b/source/unres/data/energy_data.F90
@@ -404,12 +404,13 @@
 !           sigmap2cat,wquadcat,chicat,chiscat,chippcat,&
 !           epsintabcat,debaykapcat
         integer,dimension(:),allocatable :: ichargecat
-        integer oldion
+!        integer oldion
 
         real(kind=8),dimension(:,:),allocatable :: alphapolcat,&
            epsheadcat,sig0headcat,sigiso1cat,sigiso2cat,rborncat,&
            sigmap1cat,sigmap2cat,chiscat,wquadcat,chippcat,&
-           epsintabcat,debaykapcat,chicat,sigmacat, nstatecat, epscat
+           epsintabcat,debaykapcat,chicat,sigmacat, nstatecat, epscat,&
+           aa_aq_cat,bb_aq_cat
 
         real(kind=8),dimension(:,:,:),allocatable :: alphasurcat,&
            alphisocat,wqdipcat,dtailcat,wstatecat