X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2Fenergy_data.f90;h=a26a0aa352549df91465e9894a7ee179ed502d9a;hb=4baa9e481f53d4c89b076f3aece756fc47282649;hp=bb0081500c71369b80c07b9c94e87a6f35732ab6;hpb=365d8ef5f0d267dc8ad542b254c40d921c1043b9;p=unres4.git

diff --git a/source/unres/data/energy_data.f90 b/source/unres/data/energy_data.f90
index bb00815..a26a0aa 100644
--- a/source/unres/data/energy_data.f90
+++ b/source/unres/data/energy_data.f90
@@ -3,7 +3,7 @@
       use names
 !-----------------------------------------------------------------------------
 ! Max. number of energy intervals
-      integer,parameter :: max_ene=21 !10
+      integer,parameter :: max_ene=49 !10
 !-----------------------------------------------------------------------------
 ! Maximum number of terms in SC bond-stretching potential
       integer,parameter :: maxbondterm=3
@@ -67,7 +67,7 @@
        wturn6,wvdwpp,wliptran,wshield,lipscale,wtube, &
        wbond_nucl,wang_nucl,wcorr_nucl,wcorr3_nucl,welpp,wtor_nucl,&
        wtor_d_nucl,welsb,wsbloc,wvdwsb,welpsb,wvdwpp_nucl,wvdwpsb,wcatprot,&
-       wcatcat,wscbase,wpepbase,wscpho
+       wcatcat,wscbase,wpepbase,wscpho,wpeppho
 #ifdef CLUSTER
       real(kind=8) :: scalscp
 #endif
@@ -274,9 +274,9 @@
       integer,dimension(:),allocatable :: idih_constr,idih_nconstr,itheta_constr !(maxdih_constr)
       integer :: idihconstr_start,idihconstr_end, &
        ithetaconstr_start,ithetaconstr_end
-      real(kind=8) :: ftors
+!      real(kind=8) :: ftors
       real(kind=8),dimension(:),allocatable :: drange,theta_constr0,theta_drange !(maxdih_constr)
-      real(kind=8),dimension(:),allocatable :: phi0 !(maxdih_constr)
+      real(kind=8),dimension(:),allocatable :: phi0,ftors !(maxdih_constr)
       real(kind=8),dimension(:),allocatable :: for_thet_constr !(maxdih_constr)
 
 !-----------------------------------------------------------------------------
@@ -360,10 +360,13 @@
         sigma_scpho,                         &
         sigmap1_scpho,sigmap2_scpho,&
         aa_scpho,bb_scpho,wqq_scpho,epsintab_scpho,alphapol_scpho,&
-        rborn_scphoi,rborn_scphoj,dhead_scphoi
+        rborn_scphoi,rborn_scphoj,dhead_scphoi,alphi_scpho
 
          real(kind=8),dimension(:,:), allocatable :: alphasur_scpho, &
         chi_scpho,chipp_scpho,chis_scpho,              &
         wqdip_scpho
-
+         real(kind=8) ,dimension(4) :: alphasur_peppho
+         real(kind=8) ,dimension(2) :: wqdip_peppho
+         real(kind=8) :: eps_peppho,sigma_peppho,sigmap1_peppho,sigmap2_peppho, &
+         aa_peppho,bb_peppho
       end module energy_data