Merge branch 'devel' into AFM

[unres.git] / source / wham / src-M / parmread.F

diff --git a/source/wham/src-M/parmread.F b/source/wham/src-M/parmread.F
index 87be54f..0d61fee 100644 (file)
--- a/source/wham/src-M/parmread.F
+++ b/source/wham/src-M/parmread.F
@@ -70,6 +70,11 @@ c If reading not own parameters, skip assignment
       call reada(controlcard,"BTRISS",btriss,0.02D0)
       call reada(controlcard,"CTRISS",ctriss,1.0D0)
       dyn_ss=(index(controlcard,'DYN_SS').gt.0)
+      write(iout,*) "ATRISS",atriss
+      write(iout,*) "BTRISS",btriss
+      write(iout,*) "CTRISS",ctriss
+      write(iout,*) "DTRISS",dtriss
+
 C      do i=1,maxres
 C        dyn_ss_mask(i)=.false.
 C      enddo
@@ -136,6 +141,7 @@ c
       wbond=ww(18)
       wsccor=ww(19)
       whpb=ww(15)
+      wstrain=ww(15)
       endif
 
       call card_concat(controlcard,.false.)
@@ -207,7 +213,7 @@ c Read the virtual-bond parameters, masses, and moments of inertia
 c and Stokes' radii of the peptide group and side chains
 c
 #ifdef CRYST_BOND
-      read (ibond,*) vbldp0,akp
+      read (ibond,*) vbldp0,vbldpdum,akp
       do i=1,ntyp
         nbondterm(i)=1
         read (ibond,*) vbldsc0(1,i),aksc(1,i)
@@ -219,7 +225,7 @@ c
         endif
       enddo
 #else
-      read (ibond,*) ijunk,vbldp0,akp,rjunk
+      read (ibond,*) ijunk,vbldp0,vbldpdum,akp,rjunk
       do i=1,ntyp
         read (ibond,*) nbondterm(i),(vbldsc0(j,i),aksc(j,i),abond0(j,i),
      &   j=1,nbondterm(i))
@@ -389,7 +395,7 @@ C
         enddo
       enddo
       enddo
-      write (iout,*) "KURWA1"
+C      write (iout,*) "KURWA1"
       do iblock=1,2
       do i=0,nthetyp
         do j=-nthetyp,nthetyp
@@ -413,7 +419,7 @@ C
           enddo
         enddo
       enddo
-       write(iout,*) "KURWA1.1"
+C       write(iout,*) "KURWA1.1"
 C
 C For dummy ends assign glycine-type coefficients of theta-only terms; the
 C coefficients of theta-and-gamma-dependent terms are zero.
@@ -433,7 +439,7 @@ C
         aa0thet(nthetyp+1,i,nthetyp+1,iblock)=0.0d0
       enddo
       enddo
-       write(iout,*) "KURWA1.5"
+C       write(iout,*) "KURWA1.5"
 C Substitution for D aminoacids from symmetry.
       do iblock=1,2
       do i=-nthetyp,0
@@ -512,7 +518,7 @@ C
       call flush(iout)
       endif
 #endif
-      write(iout,*) 'KURWA2'
+C      write(iout,*) 'KURWA2'
 #ifdef CRYST_SC
 C
 C Read the parameters of the probability distribution/energy expression
@@ -620,7 +626,7 @@ C
       enddo
 #endif
       close(irotam)
-      write (iout,*) 'KURWAKURWA'
+C      write (iout,*) 'KURWAKURWA'
 #ifdef CRYST_TOR
 C
 C Read torsional parameters in old format
@@ -1274,7 +1280,7 @@ C      V3SS = 13.7d0
       write (iout,*) dyn_ss,'dyndyn'
       if (dyn_ss) then
         ss_depth=ebr/wsc-0.25*eps(1,1)
-        write(iout,*) akcm,whpb,wsc,'KURWA'
+C        write(iout,*) akcm,whpb,wsc,'KURWA'
         Ht=Ht/wsc-0.25*eps(1,1)
 
         akcm=akcm*whpb/wsc