merge...

Merge branch 'prerelease-3.2.1' of mmka:unres into prerelease-3.2.1

Conflicts:

	source/wham/src/energy_p_new.F

diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F
index b6540fb..5b36ced 100644 (file)
--- a/source/wham/src/energy_p_new.F
+++ b/source/wham/src/energy_p_new.F
@@ -3124,9 +3124,14 @@ c
           nbi=nbondterm(iti)
           if (nbi.eq.1) then
             diff=vbld(i+nres)-vbldsc0(1,iti)
+<<<<<<< HEAD
+c            write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
+c     &      AKSC(1,iti),AKSC(1,iti)*diff*diff
+=======
             if (lprn)
      &      write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
      &      AKSC(1,iti),AKSC(1,iti)*diff*diff
+>>>>>>> aee20d3590dc2913e3a9a4308ce5da7787993a66
             estr=estr+0.5d0*AKSC(1,iti)*diff*diff
             do j=1,3
               gradbx(j,i)=AKSC(1,iti)*diff*dc(j,i+nres)/vbld(i+nres)

diff --git a/source/wham/src/wham_calc1.F b/source/wham/src/wham_calc1.F
index 676d4f4..61b9504 100644 (file)
--- a/source/wham/src/wham_calc1.F
+++ b/source/wham/src/wham_calc1.F
@@ -94,7 +94,6 @@ c      parameter (MaxHdim=200000)
       character*128 nazwa
       integer ilen
       external ilen
- 
       write(licz2,'(bz,i2.2)') islice
       nbin1 = 1.0d0/delta
       write (iout,'(//80(1h-)/"Solving WHAM equations for slice",