X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fio.F90;h=86b40ef3f830fb08df11d8ec5f3f1a83fc41c4b5;hb=41585054482bea08de6120a0ec991bc5288c9fe5;hp=ffce3d7df38b702d46b416a9a93c9f62a4f1da81;hpb=02cf0b8d5cef13aaeb29c42683c90e3b7bf0e992;p=unres4.git diff --git a/source/unres/io.F90 b/source/unres/io.F90 index ffce3d7..86b40ef 100644 --- a/source/unres/io.F90 +++ b/source/unres/io.F90 @@ -225,7 +225,7 @@ fail=.true. ii=0 do while (fail .and. ii .le. maxsi) - call gen_side(itype(i,1),theta(i+1),alph(i),omeg(i),fail) + call gen_side(itype(i,1),theta(i+1),alph(i),omeg(i),fail,molnum(i)) ii = ii+1 enddo endif @@ -1004,7 +1004,7 @@ nsi=0 fail=.true. do while (fail.and.nsi.le.maxsi) - call gen_side(iti,theta(i+1),alph(i),omeg(i),fail) + call gen_side(iti,theta(i+1),alph(i),omeg(i),fail,molnum(i)) nsi=nsi+1 enddo if(fail) write(iout,*)'Adding sidechain failed for res ',& @@ -1056,7 +1056,8 @@ do i=1,nres_molec(molec) itmp=itmp+1 istype(itmp)=sugarcode(sequence(i,molec)(1:1),i) - itype(itmp,molec)=rescode(i,sequence(i,molec)(1:2),iscode,molec) + sequence(i,molec)=sequence(i,molec)(1:2) + itype(itmp,molec)=rescode(i,sequence(i,molec),iscode,molec) enddo endif