From: Adam Sieradzan <adasko@mmka.chem.univ.gda.pl>
Date: Wed, 7 Aug 2013 16:03:22 +0000 (+0200)
Subject: usuniecie diagnostyki
X-Git-Tag: v.3.2~9
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=7180203f4938cc8151a53de9ce354283a63ee435

usuniecie diagnostyki
---

diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F
index 5ddb6f9..12f60f5 100644
--- a/source/wham/src/energy_p_new.F
+++ b/source/wham/src/energy_p_new.F
@@ -3100,8 +3100,8 @@ c
           nbi=nbondterm(iti)
           if (nbi.eq.1) then
             diff=vbld(i+nres)-vbldsc0(1,iti)
-            write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
-     &      AKSC(1,iti),AKSC(1,iti)*diff*diff
+c            write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
+c     &      AKSC(1,iti),AKSC(1,iti)*diff*diff
             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)
@@ -3130,8 +3130,8 @@ c
               usum=usum+uprod1
               usumsqder=usumsqder+ud(j)*uprod2
             enddo
-            write (iout,*) i,iti,vbld(i+nres),(vbldsc0(j,iti),
-     &      AKSC(j,iti),abond0(j,iti),u(j),j=1,nbi)
+c            write (iout,*) i,iti,vbld(i+nres),(vbldsc0(j,iti),
+c     &      AKSC(j,iti),abond0(j,iti),u(j),j=1,nbi)
             estr=estr+uprod/usum
             do j=1,3
              gradbx(j,i)=usumsqder/(usum*usum)*dc(j,i+nres)/vbld(i+nres)
diff --git a/source/wham/src/wham_calc1.F b/source/wham/src/wham_calc1.F
index a6044cd..57f3fcf 100644
--- 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",