Shielding part 2

[unres.git] / source / unres / src_MD-M / gradient_p.F

diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F
index 3d90077..9961837 100644 (file)
--- a/source/unres/src_MD-M/gradient_p.F
+++ b/source/unres/src_MD-M/gradient_p.F
@@ -382,7 +382,15 @@ C
           gscloc(j,i)=0.0d0
           gsclocx(j,i)=0.0d0
           gliptranc(j,i)=0.0d0
-          gliptranx(j,i)=0.0d0 
+          gliptranx(j,i)=0.0d0
+          gradafm(j,i)=0.0d0
+          grad_shield(j,i)=0.0d0
+C grad_shield_side is Cbeta sidechain gradient
+          do kk=1,maxshieldlist
+           grad_shield_side(j,kk,i)=0.0d0
+C grad_shield_side_ca is Calfa sidechain gradient
+           grad_shield_side_ca(j,kk,i)=0.0d0
+          enddo
           do intertyp=1,3
            gloc_sc(intertyp,i,icg)=0.0d0
           enddo