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zmiany w WHAM PBC przed sprawdzeniem differow
[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
c9ac2a3
..
ea6cb14
100644
(file)
--- a/
source/wham/src-M/parmread.F
+++ b/
source/wham/src-M/parmread.F
@@
-150,7
+150,7
@@
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
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)
do i=1,ntyp
nbondterm(i)=1
read (ibond,*) vbldsc0(1,i),aksc(1,i)
@@
-162,7
+162,7
@@
c
endif
enddo
#else
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))
do i=1,ntyp
read (ibond,*) nbondterm(i),(vbldsc0(j,i),aksc(j,i),abond0(j,i),
& j=1,nbondterm(i))