From 0a0b19df2e0f4d0081a0df1b16ff63950010daa5 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Thu, 21 Dec 2017 10:46:47 +0100 Subject: [PATCH 1/1] xdrf2pdb-m-mult time t_bath printout --- source/xdrfpdb/src-M/xdrf2pdb-m.F | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/source/xdrfpdb/src-M/xdrf2pdb-m.F b/source/xdrfpdb/src-M/xdrf2pdb-m.F index d60a016..24be584 100644 --- a/source/xdrfpdb/src-M/xdrf2pdb-m.F +++ b/source/xdrfpdb/src-M/xdrf2pdb-m.F @@ -138,7 +138,8 @@ c write (*,'(8f10.5)') ((coord(k,j),k=1,3),j=1,isize) enddo enddo etot=potE - write (tytul,'(a,i6)') "Structure",kk + write (tytul,'(a1,i6,a8,f6.1,a6,f10.1)') "#",kk," t_bath ", + & t_bath, " time ",time call pdbout(etot,tytul,9) endif enddo -- 1.7.9.5