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saxs and adam's corrections to multichain
[unres.git]
/
source
/
cluster
/
wham
/
src-M
/
parmread.F
diff --git
a/source/cluster/wham/src-M/parmread.F
b/source/cluster/wham/src-M/parmread.F
index
8de6af5
..
c9617ec
100644
(file)
--- a/
source/cluster/wham/src-M/parmread.F
+++ b/
source/cluster/wham/src-M/parmread.F
@@
-17,11
+17,11
@@
C
include 'COMMON.SBRIDGE'
include 'COMMON.SCCOR'
include 'COMMON.SCROT'
include 'COMMON.SBRIDGE'
include 'COMMON.SCCOR'
include 'COMMON.SCROT'
+ include 'COMMON.LANGEVIN'
character*1 t1,t2,t3
character*1 onelett(-2:2) /"p","a","G","A","P"/
logical lprint
dimension blower(3,3,maxlob)
character*1 t1,t2,t3
character*1 onelett(-2:2) /"p","a","G","A","P"/
logical lprint
dimension blower(3,3,maxlob)
- double precision ip,mp
C
C Body
C
C
C Body
C
@@
-34,10
+34,10
@@
C Assign virtual-bond length
vblinv=1.0D0/vbl
vblinv2=vblinv*vblinv
#ifdef CRYST_BOND
vblinv=1.0D0/vbl
vblinv2=vblinv*vblinv
#ifdef CRYST_BOND
- read (ibond,*) vbldp0,vbldpdum,akp
+ read (ibond,*) vbldp0,vbldpdum,akp,mp,ip,pstok
do i=1,ntyp
nbondterm(i)=1
do i=1,ntyp
nbondterm(i)=1
- read (ibond,*) vbldsc0(1,i),aksc(1,i)
+ read (ibond,*) vbldsc0(1,i),aksc(1,i),msc(i),isc(i),restok(i)
dsc(i) = vbldsc0(1,i)
if (i.eq.10) then
dsc_inv(i)=0.0D0
dsc(i) = vbldsc0(1,i)
if (i.eq.10) then
dsc_inv(i)=0.0D0
@@
-46,10
+46,10
@@
C Assign virtual-bond length
endif
enddo
#else
endif
enddo
#else
- read (ibond,*) ijunk,vbldp0,vbldpdum,akp,rjunk
+ read (ibond,*) ijunk,vbldp0,vbldpdum,akp,rjunk,mp,ip,pstok
do i=1,ntyp
read (ibond,*) nbondterm(i),(vbldsc0(j,i),aksc(j,i),abond0(j,i),
do i=1,ntyp
read (ibond,*) nbondterm(i),(vbldsc0(j,i),aksc(j,i),abond0(j,i),
- & j=1,nbondterm(i))
+ & j=1,nbondterm(i)),msc(i),isc(i),restok(i)
dsc(i) = vbldsc0(1,i)
if (i.eq.10) then
dsc_inv(i)=0.0D0
dsc(i) = vbldsc0(1,i)
if (i.eq.10) then
dsc_inv(i)=0.0D0