changes in cation parameter

diff --git a/source/unres/energy.F90 b/source/unres/energy.F90
index fce83dd..4f116b7 100644 (file)
--- a/source/unres/energy.F90
+++ b/source/unres/energy.F90
@@ -21002,12 +21002,12 @@
       allocate(uzgrad(3,3,2,nres))
 !(3,3,2,maxres)
 ! allocateion of lists JPRDLA
-      allocate(newcontlistppi(200*nres))
-      allocate(newcontlistscpi(200*nres))
-      allocate(newcontlisti(200*nres))
-      allocate(newcontlistppj(200*nres))
-      allocate(newcontlistscpj(200*nres))
-      allocate(newcontlistj(200*nres))
+      allocate(newcontlistppi(250*nres))
+      allocate(newcontlistscpi(250*nres))
+      allocate(newcontlisti(250*nres))
+      allocate(newcontlistppj(250*nres))
+      allocate(newcontlistscpj(250*nres))
+      allocate(newcontlistj(250*nres))
 
       return
       end subroutine alloc_ener_arrays
@@ -28262,7 +28262,7 @@
       include 'mpif.h'
       real*8 :: xi,yi,zi,xj,yj,zj,xj_safe,yj_safe,zj_safe,xj_temp,yj_temp,zj_temp
       real*8 :: dist_init, dist_temp,r_buff_list
-      integer:: contlisti(200*nres),contlistj(200*nres)
+      integer:: contlisti(250*nres),contlistj(250*nres)
 !      integer :: newcontlisti(200*nres),newcontlistj(200*nres) 
       integer i,j,itypi,itypj,subchap,xshift,yshift,zshift,iint,ilist_sc,g_ilist_sc
       integer displ(0:nprocs),i_ilist_sc(0:nprocs),ierr
@@ -28399,7 +28399,7 @@
       include 'mpif.h'
       real*8 :: xi,yi,zi,xj,yj,zj,xj_safe,yj_safe,zj_safe,xj_temp,yj_temp,zj_temp
       real*8 :: dist_init, dist_temp,r_buff_list
-      integer:: contlistscpi(200*nres),contlistscpj(200*nres)
+      integer:: contlistscpi(250*nres),contlistscpj(250*nres)
 !      integer :: newcontlistscpi(200*nres),newcontlistscpj(200*nres)
       integer i,j,itypi,itypj,subchap,xshift,yshift,zshift,iint,ilist_scp,g_ilist_scp
       integer displ(0:nprocs),i_ilist_scp(0:nprocs),ierr
@@ -28565,7 +28565,7 @@
       real*8 :: xmedj,ymedj,zmedj
       real*8 :: dist_init, dist_temp,r_buff_list,dxi,dyi,dzi,xmedi,ymedi,zmedi
       real*8 :: dx_normi,dy_normi,dz_normi,dxj,dyj,dzj,dx_normj,dy_normj,dz_normj
-      integer:: contlistppi(200*nres),contlistppj(200*nres)
+      integer:: contlistppi(250*nres),contlistppj(250*nres)
 !      integer :: newcontlistppi(200*nres),newcontlistppj(200*nres)
       integer i,j,itypi,itypj,subchap,xshift,yshift,zshift,iint,ilist_pp,g_ilist_pp
       integer displ(0:nprocs),i_ilist_pp(0:nprocs),ierr