poprawka w pametrach

diff --git a/PARAM/pot_theta_G631_DIL.parm b/PARAM/pot_theta_G631_DIL.parm
index 494bff1..47d6fb1 100644 (file)
--- 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 (file)
--- 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