zmiany, wylaczenie diagnostyki, dzialajacy WHAM

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

diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F
index c8acad2..23aafae 100644 (file)
--- a/source/unres/src_MD-M/energy_p_new_barrier.F
+++ b/source/unres/src_MD-M/energy_p_new_barrier.F
@@ -4787,7 +4787,7 @@ C YES   vbldpDUM is the equlibrium length of spring for Dummy atom
 C NO    vbldp0 is the equlibrium lenght of spring for peptide group
         diff = vbld(i)-vbldp0
          endif 
-        if (energy_dec) write (iout,'(a7,i5,4f7.3)') 
+        if (energy_dec)    write (iout,'(a7,i5,4f7.3)') 
      &     "estr bb",i,vbld(i),vbldp0,diff,AKP*diff*diff
         estr=estr+diff*diff
         do j=1,3
@@ -4806,7 +4806,7 @@ c
           nbi=nbondterm(iti)
           if (nbi.eq.1) then
             diff=vbld(i+nres)-vbldsc0(1,iti)
-            if (energy_dec) write (iout,*) 
+            if (energy_dec)  write (iout,*) 
      &      "estr sc",i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
      &      AKSC(1,iti),AKSC(1,iti)*diff*diff
             estr=estr+0.5d0*AKSC(1,iti)*diff*diff