working peptide-phosphate

[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 89d4682..6083686 100644 (file)
--- a/source/unres/data/energy_data.f90
+++ b/source/unres/data/energy_data.f90
@@ -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
+       wcatcat,wscbase,wpepbase,wscpho,wpeppho
 #ifdef CLUSTER
       real(kind=8) :: scalscp
 #endif
@@ -356,4 +356,17 @@
          real(kind=8),dimension(:,:), allocatable :: alphasur_pepbase, &
         wdipdip_pepbase,chi_pepbase,chipp_pepbase,chis_pepbase
 
+        real(kind=8),dimension(:), allocatable ::  eps_scpho, &
+        sigma_scpho,                         &
+        sigmap1_scpho,sigmap2_scpho,&
+        aa_scpho,bb_scpho,wqq_scpho,epsintab_scpho,alphapol_scpho,&
+        rborn_scphoi,rborn_scphoj,dhead_scphoi
+
+         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