include 'COMMON.SCROT'
include 'COMMON.FREE'
include 'COMMON.CONTROL'
+ include 'COMMON.LANGEVIN'
character*1 t1,t2,t3
character*1 onelett(4) /"G","A","P","D"/
character*1 toronelet(-2:2) /"p","a","G","A","P"/
external ilen
character*16 key
integer iparm
- double precision ip,mp
character*6 res1
C
C Body
wvdwpp=ww(16)
wbond=ww(18)
wsccor=ww(19)
+ wsaxs=ww(26)
endif
c and Stokes' radii of the peptide group and side chains
c
#ifdef CRYST_BOND
- read (ibond,*) vbldp0,vbldpdum,akp
+ read (ibond,*) vbldp0,vbldpdum,akp,mp,ip,pstok
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
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),
- & 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