# Brak MPI dla gfortrana, wiec tylko na ifort sie skompiluje
if (Fortran_COMPILER_NAME STREQUAL "ifort")
add_subdirectory(source/unres/src_MD)
- add_subdirectory(source/unres/src_MD_DFA)
add_subdirectory(source/unres/src_MD-M)
add_subdirectory(source/unres/src_CSA)
add_subdirectory(source/unres/src_CSA_DiL)
else() #kompiluj gdzie indziej
add_subdirectory(source/unres/src_MD)
- add_subdirectory(source/unres/src_MD_DFA)
if(UNRES_WITH_MPI)
add_subdirectory(source/unres/src_MD-M)
add_subdirectory(source/unres/src_CSA)
CCC
C
read (isccor,*,end=113,err=113) nsccortyp
+#ifdef SCCORPDB
read (isccor,*,end=113,err=113) (isccortyp(i),i=1,ntyp)
do i=-ntyp,-1
isccortyp(i)=-isccortyp(-i)
cd print *,'NNT=',NNT,' NCT=',NCT
if (itype(1).eq.ntyp1) nnt=2
if (itype(nres).eq.ntyp1) nct=nct-1
+
+C Juyong:READ init_vars
+C Initialize variables!
+C Juyong:READ read_info
+C READ fragment information!!
+C both routines should be in dfa.F file!!
+
+ if (.not. (wdfa_dist.eq.0.0 .and. wdfa_tor.eq.0.0 .and.
+ & wdfa_nei.eq.0.0 .and. wdfa_beta.eq.0.0)) then
+ call init_dfa_vars
+ print*, 'init_dfa_vars finished!'
+ call read_dfa_info
+ print*, 'read_dfa_info finished!'
+ endif
+C
+C
+
+
if (pdbref) then
if(me.eq.king.or..not.out1file)
& write (iout,'(a,i3)') 'nsup=',nsup