X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fio.f90;h=a6bda64a36b476be169f5bdf907c540c3b28eb19;hb=4baa9e481f53d4c89b076f3aece756fc47282649;hp=94e6836132b7551417a127dbb054bba44081b8a5;hpb=c6876dcce64a90f33b45e64810b2bf7f2de7d79e;p=unres4.git diff --git a/source/unres/io.f90 b/source/unres/io.f90 index 94e6836..a6bda64 100644 --- a/source/unres/io.f90 +++ b/source/unres/io.f90 @@ -1154,22 +1154,25 @@ if (ndih_constr.gt.0) then allocate(idih_constr(ndih_constr),idih_nconstr(ndih_constr)) !(maxdih_constr) allocate(phi0(ndih_constr),drange(ndih_constr)) !(maxdih_constr) + allocate(ftors(ndih_constr)) !(maxdih_constr) - read (inp,*) ftors - read (inp,*) (idih_constr(i),phi0(i),drange(i),i=1,ndih_constr) +! read (inp,*) ftors + read (inp,*) (idih_constr(i),phi0(i),drange(i),ftors(i), & + i=1,ndih_constr) if(me.eq.king.or..not.out1file)then write (iout,*) & 'There are',ndih_constr,' constraints on phi angles.' do i=1,ndih_constr - write (iout,'(i5,2f8.3)') idih_constr(i),phi0(i),drange(i) + write (iout,'(i5,3f8.3)') idih_constr(i),phi0(i),drange(i), & + ftors(i) enddo endif do i=1,ndih_constr phi0(i)=deg2rad*phi0(i) drange(i)=deg2rad*drange(i) enddo - if(me.eq.king.or..not.out1file) & - write (iout,*) 'FTORS',ftors +! if(me.eq.king.or..not.out1file) & +! write (iout,*) 'FTORS',ftors do i=1,ndih_constr ii = idih_constr(i) phibound(1,ii) = phi0(i)-drange(i)