From: Cezary Czaplewski Date: Sat, 14 Jul 2018 18:22:03 +0000 (+0200) Subject: READ_HOMOL_FRAG src-M correction X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=11a30d63a53082c984f22fcf36766666cbec2cc1 READ_HOMOL_FRAG src-M correction --- diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index 92feaf7..7635d58 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -1685,7 +1685,7 @@ c Read pdb files stop 34 continue unres_pdb=.false. - call readpdb + call readpdb_template(k) do i=1,2*nres do j=1,3 chomo(j,i,k)=c(j,i) @@ -1730,6 +1730,7 @@ C Copy the coordinates from reference coordinates (?) c write (iout,*) "c(",j,i,") =",c(j,i) enddo enddo + call int_from_cart1(.false.) call int_from_cart(.true.,.false.) call sc_loc_geom(.false.) do i=1,nres diff --git a/source/wham/src-M/molread_zs.F b/source/wham/src-M/molread_zs.F index a6e0532..eeb7655 100644 --- a/source/wham/src-M/molread_zs.F +++ b/source/wham/src-M/molread_zs.F @@ -900,7 +900,7 @@ c Read pdb files stop 34 continue unres_pdb=.false. - call readpdb + call readpdb_template(k) do i=1,2*nres do j=1,3 chomo(j,i,k)=c(j,i) @@ -945,6 +945,7 @@ C Copy the coordinates from reference coordinates (?) c write (iout,*) "c(",j,i,") =",c(j,i) enddo enddo + call int_from_cart1(.false.) call int_from_cart(.true.,.false.) call sc_loc_geom(.false.) do i=1,nres