X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fio_config.f90;h=393bfa4830db3a6280322e20ae26c0ea702eff1e;hb=726f5567e5b296dfadb884e2db91562c1a46536c;hp=490ecad9752e50237d022b45fdc680cd4a67d037;hpb=095c479c65c6ef7f85194cae2b096c4082b118ab;p=unres4.git diff --git a/source/unres/io_config.f90 b/source/unres/io_config.f90 index 490ecad..393bfa4 100644 --- a/source/unres/io_config.f90 +++ b/source/unres/io_config.f90 @@ -2541,6 +2541,14 @@ enddo endif endif +!el kontrola nres w pliku inputowym WHAM-a w porownaniu z wartoscia wczytana z pliku pdb +#ifdef WHAM_RUN + if (nres.ne.nres0) then + write (iout,*) "Error: wrong parameter value: NRES=",nres,& + " NRES0=",nres0 + stop "Error nres value in WHAM input" + endif +#endif !--------------------------------- !el reallocate tables ! do i=1,maxres/3 @@ -2620,6 +2628,7 @@ (c(j,ires+nres),j=1,3) enddo endif +! znamy już nres wiec mozna alokowac tablice ! Calculate internal coordinates. if(me.eq.king.or..not.out1file)then write (iout,'(a)') &