X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Finitialize_p.F;h=409deb06099fa8eb202569597cee2d2b5f7edd3f;hp=7bf3f4d392d1f3ded37f4d5ca21d233fdc2edc51;hb=48f04f24e913a3e10867d2038b30efcd48a60a9f;hpb=4ed0b0657cdb9599bd714a010134061c94f509cc diff --git a/source/cluster/wham/src-M/initialize_p.F b/source/cluster/wham/src-M/initialize_p.F index 7bf3f4d..409deb0 100644 --- a/source/cluster/wham/src-M/initialize_p.F +++ b/source/cluster/wham/src-M/initialize_p.F @@ -58,6 +58,7 @@ C ibond=28 isccor=29 jrms=30 + iliptran=60 C C Set default weights of the energy terms. C @@ -84,8 +85,10 @@ C enddo do i=1,ntyp do j=1,ntyp - aa(i,j)=0.0D0 - bb(i,j)=0.0D0 + aa_aq(i,j)=0.0D0 + bb_aq(i,j)=0.0D0 + aa_lip(i,j)=0.0D0 + bb_lip(i,j)=0.0D0 augm(i,j)=0.0D0 sigma(i,j)=0.0D0 r0(i,j)=0.0D0