# HG changeset patch
# User recetox
# Date 1729145862 0
# Node ID 356f7916ac0788644b296fe4516d74a504d13320
# Parent  e97bfe7ac90695b05feca6067930898ce1638768
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 5a088c3d758c9a1dbd119dad55ecffa173139a40

diff -r e97bfe7ac906 -r 356f7916ac07 test-data/TMP.1_qcxms_in.txt
--- a/test-data/TMP.1_qcxms_in.txt	Thu Jul 25 14:26:55 2024 +0000
+++ b/test-data/TMP.1_qcxms_in.txt	Thu Oct 17 06:17:42 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