adding of Czybyshev part 1

[unres.git] / source / unres / src_MD-M / initialize_p.F

diff --git a/source/unres/src_MD-M/initialize_p.F b/source/unres/src_MD-M/initialize_p.F
index da0d3f9..83ccf62 100644 (file)
--- a/source/unres/src_MD-M/initialize_p.F
+++ b/source/unres/src_MD-M/initialize_p.F
@@ -119,6 +119,8 @@ C
       icsa_in=40
 crc for ifc error 118
       icsa_pdb=42
+      itorkcc=43
+      ithetkcc=44
 C Lipidic input file for parameters range 60-79
       iliptranpar=60
 C input file for transfer sidechain and peptide group inside the
@@ -668,8 +670,8 @@ c     &  " ivec_start",ivec_start," ivec_end",ivec_end
         call int_bounds(ndih_constr,idihconstr_start,idihconstr_end)
       endif
       if (ntheta_constr.eq.0) then
-        idihconstr_start=1
-        idihconstr_end=0
+        ithetaconstr_start=1
+        ithetaconstr_end=0
       else
         call int_bounds
      &  (ntheta_constr,ithetaconstr_start,ithetaconstr_end)