correction - adding ehomology_constr

diff --git a/source/wham/src/DIMENSIONS b/source/wham/src/DIMENSIONS
index f5438bc..a7695ff 100644 (file)
--- a/source/wham/src/DIMENSIONS
+++ b/source/wham/src/DIMENSIONS
@@ -142,4 +142,4 @@ C Maximum number of terms in SC bond-stretching potential
       parameter (maxbondterm=3)
 C Maximum number of templates in homology-modeling restraints
       integer max_template
-      parameter(max_template=19)
+      parameter(max_template=25)

diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F
index 5041712..5cfdcce 100644 (file)
--- a/source/wham/src/energy_p_new.F
+++ b/source/wham/src/energy_p_new.F
@@ -133,7 +133,7 @@ c      write (iout,*) "ft(6)",fact(6)," evdw",evdw," evdw_t",evdw_t
      & +wcorr6*fact(5)*ecorr6+wturn4*fact(3)*eello_turn4
      & +wturn3*fact(2)*eello_turn3+wturn6*fact(5)*eturn6
      & +wel_loc*fact(2)*eel_loc+edihcnstr+wtor_d*fact(2)*etors_d
-     & +wbond*estr+wsccor*fact(1)*esccor!+ehomology_constr
+     & +wbond*estr+wsccor*fact(1)*esccor+ehomology_constr
      & +wdfa_dist*edfadis+wdfa_tor*edfator+wdfa_nei*edfanei
      & +wdfa_beta*edfabet
 #else
@@ -144,7 +144,7 @@ c      write (iout,*) "ft(6)",fact(6)," evdw",evdw," evdw_t",evdw_t
      & +wcorr6*fact(5)*ecorr6+wturn4*fact(3)*eello_turn4
      & +wturn3*fact(2)*eello_turn3+wturn6*fact(5)*eturn6
      & +wel_loc*fact(2)*eel_loc+edihcnstr+wtor_d*fact(2)*etors_d
-     & +wbond*estr+wsccor*fact(1)*esccor!+ehomology_constr
+     & +wbond*estr+wsccor*fact(1)*esccor+ehomology_constr
      & +wdfa_dist*edfadis+wdfa_tor*edfator+wdfa_nei*edfanei
      & +wdfa_beta*edfabet
 #endif