X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;h=996183739fecebc0f5c8b32ebc3bf354b3c3dc21;hb=7ac044004baeac41c3c91c38a1b3c3546287e624;hp=acd4472aa154aa01e7921e4898f3c137341145f7;hpb=e910def1e1c1c0f0b35e8ce1cbf2a9ee59628771;p=unres.git

diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F
index acd4472..9961837 100644
--- a/source/unres/src_MD-M/gradient_p.F
+++ b/source/unres/src_MD-M/gradient_p.F
@@ -384,6 +384,13 @@ C
           gliptranc(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