# HG changeset patch
# User recetox
# Date 1729145857 0
# Node ID 89b026d67e9fd33463b4ec3429da625f51695424
# Parent  53dce0e49af7de8b0945f832a2d301e8c59b56ef
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 5a088c3d758c9a1dbd119dad55ecffa173139a40

diff -r 53dce0e49af7 -r 89b026d67e9f test-data/TMP.1_qcxms_in.txt
--- a/test-data/TMP.1_qcxms_in.txt	Thu Jul 25 14:27:08 2024 +0000
+++ b/test-data/TMP.1_qcxms_in.txt	Thu Oct 17 06:17:37 2024 +0000
@@ -4,4 +4,6 @@
             tmax  20.0 
             tinit  500.0 
             ieeatm  0.6
+            tstep 0.5
+            etemp 5000
         
\ No newline at end of file