X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fio_config.F90;fp=source%2Funres%2Fio_config.F90;h=dce2e693d6fcab60e8aa67f6c4b5edb19770f6eb;hb=6bb28cfa33f2772f3e2bb8412b8e0f5f4c7975a8;hp=eed8a111cfb501f40d73ff3af9690695a6b39384;hpb=df69359cd69d4125ec2d298ea1b796a55217b9f7;p=unres4.git

diff --git a/source/unres/io_config.F90 b/source/unres/io_config.F90
index eed8a11..dce2e69 100644
--- a/source/unres/io_config.F90
+++ b/source/unres/io_config.F90
@@ -867,9 +867,10 @@
           enddo
         enddo
       endif
+      if (.not.allocated(ichargecat)) allocate (ichargecat(ntyp_molec(5)))
        if (oldion.eq.1) then
             do i=1,ntyp_molec(5)
-             read(iion,*) msc(i,5),restok(i,5)
+             read(iion,*) msc(i,5),restok(i,5),ichargecat(i)
              print *,msc(i,5),restok(i,5)
             enddo
             ip(5)=0.2
@@ -3257,7 +3258,7 @@
       if (.not.allocated(chi2cat)) allocate(chi2cat(ntyp1,ntyp1)) !(ntyp,ntyp)
 
 
-      allocate (ichargecat(ntyp_molec(5)))
+            if (.not.allocated(ichargecat)) allocate (ichargecat(ntyp_molec(5)))
 ! i to SC, j to jon, isideocat - nazwa pliku z ktorego czytam parametry
        if (oldion.eq.0) then
             if (.not.allocated(icharge)) then ! this mean you are oprating in old sc-sc mode