X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Fgradient_p.F;h=569120f2726db67b2c51883c8ca27eac1c861127;hb=8d1cbddeeeecb9b627567190827de6762eaa09e9;hp=25d1b12a38ea364a2724f113981ba269ff9c4c9c;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_CSA/gradient_p.F b/source/unres/src_CSA/gradient_p.F index 25d1b12..569120f 100644 --- a/source/unres/src_CSA/gradient_p.F +++ b/source/unres/src_CSA/gradient_p.F @@ -337,6 +337,7 @@ C------------------------------------------------------------------------- include 'COMMON.CHAIN' include 'COMMON.VAR' include 'COMMON.MD_' + include 'COMMON.SCCOR' C C Initialize Cartesian-coordinate gradient C @@ -374,6 +375,9 @@ C gradx(j,i,icg)=0.0d0 gscloc(j,i)=0.0d0 gsclocx(j,i)=0.0d0 + do intertyp=1,3 + gloc_sc(intertyp,i,icg)=0.0d0 + enddo enddo enddo C