X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;h=1d8f3d133e7fd951a909c593099f80606eeb759d;hb=0cda1be1a3786bb92473b33bf4694c86e35e2407;hp=4cfa18b70718ef2bbf056df811084b42ba95b36e;hpb=49433878fd452a49d166fe9f351be15c0847148a;p=unres.git diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F index 4cfa18b..1d8f3d1 100644 --- a/source/unres/src_MD-M/gradient_p.F +++ b/source/unres/src_MD-M/gradient_p.F @@ -405,6 +405,8 @@ C end of zero grad for shielding gliptranx(j,i)=0.0d0 gradafm(j,i)=0.0d0 grad_shield(j,i)=0.0d0 + gg_tube(j,i)=0.0d0 + gg_tube_sc(j,i)=0.0d0 C grad_shield_side is Cbeta sidechain gradient do kk=1,maxshieldlist grad_shield_side(j,kk,i)=0.0d0