X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2Finitialize_p.F;h=9b03d11bd3fca8e3bfd17422551118b5f57fb26e;hb=0a9d4161c6dab7e722b1113b6f0f6d98693e5fc6;hp=c66de63be4fbc6b1344f7ece8f9ac8a4910a2776;hpb=b824c9cd119555826c01272ef1ca83b3aa90b1ee;p=unres.git diff --git a/source/wham/src-M/initialize_p.F b/source/wham/src-M/initialize_p.F index c66de63..9b03d11 100644 --- a/source/wham/src-M/initialize_p.F +++ b/source/wham/src-M/initialize_p.F @@ -62,6 +62,8 @@ C ihist=30 iweight=31 izsc=32 +C Lipidic input file for parameters range 60-79 + iliptranpar=60 C C Set default weights of the energy terms. C @@ -88,8 +90,10 @@ C enddo do i=1,ntyp do j=1,ntyp - aa(i,j)=0.0D0 - bb(i,j)=0.0D0 + aa_lip(i,j)=0.0D0 + bb_lip(i,j)=0.0D0 + aa_aq(i,j)=0.0D0 + bb_aq(i,j)=0.0D0 augm(i,j)=0.0D0 sigma(i,j)=0.0D0 r0(i,j)=0.0D0