From 11a30d63a53082c984f22fcf36766666cbec2cc1 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Sat, 14 Jul 2018 20:22:03 +0200 Subject: [PATCH] READ_HOMOL_FRAG src-M correction --- source/cluster/wham/src-M/readrtns.F | 3 ++- source/wham/src-M/molread_zs.F | 3 ++- 2 files changed, 4 insertions(+), 2 deletions(-) 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 -- 1.7.9.5