X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgnmr1.f;h=8bfc43aca594e24bd7744f5d6f87cd1d3f301303;hb=75c81b9dbe2f7e18e73a9d61ee02980790335164;hp=f44e404643918dd6a9e7dd2719c5e4053f3ab5c9;hpb=6e5f3f4866eb982f17fb6d5c2bb30bd7bf0585be;p=unres.git diff --git a/source/unres/src_MD-M/gnmr1.f b/source/unres/src_MD-M/gnmr1.f index f44e404..8bfc43a 100644 --- a/source/unres/src_MD-M/gnmr1.f +++ b/source/unres/src_MD-M/gnmr1.f @@ -61,10 +61,10 @@ c------------------------------------------------------------------------------ double precision wykl /4.0d0/ if (y.lt.ymin) then rlornmr1prim=-(ymin-y)**(wykl-1)*sigma**wykl*wykl/ - & ((ymin-y)**wykl+sigma**wykl) + & ((ymin-y)**wykl+sigma**wykl)**2 else if (y.gt.ymax) then rlornmr1prim=(y-ymax)**(wykl-1)*sigma**wykl*wykl/ - & ((y-ymax)**wykl+sigma**wykl) + & ((y-ymax)**wykl+sigma**wykl)**2 else rlornmr1prim=0.0d0 endif