From 8fe319640b1d7d6e9471168cad02823d363aaaa1 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Thu, 29 Oct 2015 12:16:27 +0100 Subject: [PATCH] correction in readrefstr --- source/wham/src-M/energy_p_new.F | 2 +- source/wham/src-M/read_ref_str.F | 5 +++++ 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F index cba6b5e..0d46502 100644 --- a/source/wham/src-M/energy_p_new.F +++ b/source/wham/src-M/energy_p_new.F @@ -3706,7 +3706,7 @@ C & i,itheta,rad2deg*thetiii, C & rad2deg*theta_constr0(i), rad2deg*theta_drange(i), C & rad2deg*difi,0.25d0*for_thet_constr(i)*difi**4, C & gloc(itheta+nphi-2,icg) - endif +C endif enddo C Ufff.... We've done all this!!! return diff --git a/source/wham/src-M/read_ref_str.F b/source/wham/src-M/read_ref_str.F index 2245a59..292fa02 100644 --- a/source/wham/src-M/read_ref_str.F +++ b/source/wham/src-M/read_ref_str.F @@ -29,10 +29,13 @@ C logical seq_comp integer i,j,k,nres_pdb,iaux double precision ddsc,dist + integer nnt_old,nct_old integer ilen,kkk external ilen C nres0=nres + nnt_old=nnt + nct_old=nct write (iout,*) "pdbref",pdbref if (pdbref) then read(inp,'(a)') pdbfile @@ -164,5 +167,7 @@ c print *,"Calling elecont" & 'Number of residues to be superposed:',nsup, & ' (from residue',nstart_sup,' to residue', & nend_sup,').' + nnt=nnt_old + nct=nct_old return end -- 1.7.9.5