From: Adam Sieradzan Date: Thu, 9 Apr 2015 07:56:22 +0000 (+0200) Subject: poprawka w pametrach X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=18010d3bb85a86b499dc4569225e21faffea9634 poprawka w pametrach --- diff --git a/PARAM/pot_theta_G631_DIL.parm b/PARAM/pot_theta_G631_DIL.parm index 494bff1..47d6fb1 100644 --- a/PARAM/pot_theta_G631_DIL.parm +++ b/PARAM/pot_theta_G631_DIL.parm @@ -1,5 +1,5 @@ 2 10 4 4 6 4 -1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 4 Gppreg 4.58415E+01 1.05721E+03 diff --git a/source/unres/src_MD/parmread.F b/source/unres/src_MD/parmread.F index 9024b50..f6ea06a 100644 --- a/source/unres/src_MD/parmread.F +++ b/source/unres/src_MD/parmread.F @@ -211,7 +211,7 @@ C read (ithep,*,err=111,end=111) nthetyp,ntheterm,ntheterm2, & ntheterm3,nsingle,ndouble nntheterm=max0(ntheterm,ntheterm2,ntheterm3) -C write(iout,*) "I am here",ntyp1 + write(iout,*) "I am here",ntyp1 read (ithep,*,err=111,end=111) (ithetyp(i),i=1,ntyp1) C write(iout,*) "I am herew" do i=-ntyp1,-1