working base with peptide group

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

diff --git a/source/unres/control.F90 b/source/unres/control.F90
index 7ecc757..ff90290 100644 (file)
--- a/source/unres/control.F90
+++ b/source/unres/control.F90
@@ -237,11 +237,13 @@
 !      ielep_nucl= 131
       isidep_nucl=132
       iscpp_nucl=133
-
-
+      isidep_scbase=141
+      isidep_pepbase=142
 
       iliptranpar=60
       itube=61
+!     IONS
+      iion=401
 #if defined(WHAM_RUN) || defined(CLUSTER)
 !
 ! setting the mpi variables for WHAM
@@ -1921,7 +1923,7 @@
 #ifdef WHAM_RUN
         if (itype(i,1).ne.10) then
 #else
-        if (itype(i,1).ne.10 .and. itype(i,mnum).ne.ntyp1_molec(mnum)) then
+        if (itype(i,1).ne.10 .and. itype(i,mnum).ne.ntyp1_molec(mnum) .and. mnum.ne.5) then
 #endif
          nside=nside+1
           ialph(i,1)=nvar+nside