X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;fp=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;h=edbf1bc08a1b2d6f96ba173040b381c09f406a1c;hb=2095e643aafa2fb192e066e69e5ca3b1a59c2727;hp=996183739fecebc0f5c8b32ebc3bf354b3c3dc21;hpb=7ac044004baeac41c3c91c38a1b3c3546287e624;p=unres.git

diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F
index 9961837..edbf1bc 100644
--- a/source/unres/src_MD-M/gradient_p.F
+++ b/source/unres/src_MD-M/gradient_p.F
@@ -346,6 +346,7 @@ C-------------------------------------------------------------------------
       include 'COMMON.VAR'
       include 'COMMON.MD'
       include 'COMMON.SCCOR'
+      include 'COMMON.SHIELD'
 C
 C Initialize Cartesian-coordinate gradient
 C
@@ -357,6 +358,9 @@ C
           gvdwc_scp(j,i)=0.0D0
           gvdwc_scpp(j,i)=0.0d0
 	  gelc (j,i)=0.0D0
+          gshieldx(j,i)=0.0d0
+          gshieldc(j,i)=0.0d0
+          gshieldc_loc(j,i)=0.0d0
 	  gelc_long(j,i)=0.0D0
           gradb(j,i)=0.0d0
           gradbx(j,i)=0.0d0
@@ -388,8 +392,12 @@ C
 C grad_shield_side is Cbeta sidechain gradient
           do kk=1,maxshieldlist
            grad_shield_side(j,kk,i)=0.0d0
+           grad_shield_loc(j,kk,i)=0.0d0
+
 C grad_shield_side_ca is Calfa sidechain gradient
-           grad_shield_side_ca(j,kk,i)=0.0d0
+
+
+C           grad_shield_side_ca(j,kk,i)=0.0d0
           enddo
           do intertyp=1,3
            gloc_sc(intertyp,i,icg)=0.0d0