From 7180203f4938cc8151a53de9ce354283a63ee435 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Wed, 7 Aug 2013 18:03:22 +0200 Subject: [PATCH] usuniecie diagnostyki --- source/wham/src/energy_p_new.F | 8 ++++---- source/wham/src/wham_calc1.F | 1 - 2 files changed, 4 insertions(+), 5 deletions(-) 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", -- 1.7.9.5