Fixed a MAJOR error in WHAM; energies were computed inconsistently

[unres.git] / source / unres / src_MD / COMMON.CONTROL

diff --git a/source/unres/src_MD/COMMON.CONTROL b/source/unres/src_MD/COMMON.CONTROL
index 8a3fbf5..e9b05fe 100644 (file)
--- a/source/unres/src_MD/COMMON.CONTROL
+++ b/source/unres/src_MD/COMMON.CONTROL
@@ -1,6 +1,6 @@
       integer modecalc,iscode,indpdb,indback,indphi,iranconf,icheckgrad,
-     & inprint,i2ndstr,mucadyn,constr_dist,constr_homology,homol_nset
-      real*8 waga_dist1,waga_angle1
+     & iprint,i2ndstr,mucadyn,constr_dist,constr_homology,homol_nset
+      real*8 waga_homology
       real*8 waga_dist, waga_angle, waga_theta, waga_d, dist_cut
       logical minim,refstr,pdbref,outpdb,outmol2,outx,overlapsc,
      &                 energy_dec,
@@ -14,7 +14,7 @@
      & ,vdisulf,searchsc,lmuca,dccart,mucadyn,extconf,out1file,
      & constr_dist,gnorm_check,gradout,split_ene,constr_homology,
      & homol_nset
-      common /homol/ waga_dist1(maxprocs/20), waga_angle1(maxprocs/20),
+      common /homol/ waga_homology(maxprocs/20),
      & waga_dist, waga_angle, waga_theta, waga_d, dist_cut
 C... minim = .true. means DO minimization.
 C... energy_dec = .true. means print energy decomposition matrix