X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fparmread.F;fp=source%2Funres%2Fsrc_MD%2Fparmread.F;h=13f4882d07d41b915ed3a54c92fc186b33233157;hb=39bffec2e960cdaa362c075425c0aa94bbd673c9;hp=cd9bda2c8b24d09b74b97c4effd8558e21e31e25;hpb=036e8e1e671a1293c1f636d9246e3dfd74f38ec1;p=unres.git diff --git a/source/unres/src_MD/parmread.F b/source/unres/src_MD/parmread.F index cd9bda2..13f4882 100644 --- a/source/unres/src_MD/parmread.F +++ b/source/unres/src_MD/parmread.F @@ -557,27 +557,27 @@ C Read of Side-chain backbone correlation parameters C Modified 11 May 2012 by Adasko CCC C - read (isccor,*,end=1113,err=1113) nsccortyp - read (isccor,*,end=1113,err=1113) (isccortyp(i),i=1,ntyp) + read (isccor,*,end=119,err=119) nsccortyp + read (isccor,*,end=119,err=119) (isccortyp(i),i=1,ntyp) c write (iout,*) 'ntortyp',ntortyp maxinter=3 cc maxinter is maximum interaction sites do l=1,maxinter do i=1,nsccortyp do j=1,nsccortyp - read (isccor,*,end=1113,err=1113) - & nterm_sccor(i,j),nlor_sccor(i,j) + read (isccor,*,end=119,err=119) + & nterm_sccor(i,j),nlor_sccor(i,j) v0ijsccor=0.0d0 si=-1.0d0 do k=1,nterm_sccor(i,j) - read (isccor,*,end=1113,err=1113) kk,v1sccor(k,l,i,j) + read (isccor,*,end=119,err=119) kk,v1sccor(k,l,i,j) & ,v2sccor(k,l,i,j) v0ijsccor=v0ijsccor+si*v1sccor(k,l,i,j) si=-si enddo do k=1,nlor_sccor(i,j) - read (isccor,*,end=1113,err=1113) kk,vlor1sccor(k,i,j), + read (isccor,*,end=119,err=119) kk,vlor1sccor(k,i,j), & vlor2sccor(k,i,j),vlor3sccor(k,i,j) v0ijsccor=v0ijsccor+vlor1sccor(k,i,j)/ &(1+vlor3sccor(k,i,j)**2)