working cluster for nano parameters

[unres.git] / source / wham / src-M / energy_p_new.F

diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F
index 81df835..378eaae 100644 (file)
--- a/source/wham/src-M/energy_p_new.F
+++ b/source/wham/src-M/energy_p_new.F
@@ -286,6 +286,7 @@ C
      &                 +wturn3*gshieldx_t3(j,i)
      &                 +wturn4*gshieldx_t4(j,i)
      &                 +wel_loc*gshieldx_ll(j,i)
+     &                +wtube*gg_tube_SC(j,i)
 
         else
           gradc(j,i,icg)=fact(1)*wsc*gvdwc(j,i)
@@ -326,6 +327,7 @@ C
      &                 +wturn3*gshieldx_t3(j,i)
      &                 +wturn4*gshieldx_t4(j,i)
      &                 +wel_loc*gshieldx_ll(j,i)
+     &                +wtube*gg_tube_SC(j,i)
 
 
         endif
@@ -356,6 +358,7 @@ C
      &                 +wturn4*gshieldc_loc_t4(j,i)
      &                 +wel_loc*gshieldc_ll(j,i)
      &                 +wel_loc*gshieldc_loc_ll(j,i)
+     &                +wtube*gg_tube(j,i)
 
           gradx(j,i,icg)=wsc*gvdwx(j,i)+wscp*gradx_scp(j,i)+
      &                  wbond*gradbx(j,i)+
@@ -394,6 +397,7 @@ C
      &                 +wturn4*gshieldc_loc_t4(j,i)
      &                 +wel_loc*gshieldc_ll(j,i)
      &                 +wel_loc*gshieldc_loc_ll(j,i)
+     &                +wtube*gg_tube(j,i)
 
           gradx(j,i,icg)=fact(1)*wsc*gvdwx(j,i)+
      &                  fact(1)*wscp*gradx_scp(j,i)+