changeset 5:a550cfa43262 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3846f6c5a15ba0586afbd5c901229e237a4e4f17"
author chemteam
date Fri, 08 May 2020 07:46:08 -0400
parents 42e4eda6eb5d
children ca6a4740114e
files macros.xml test-data/md_0_1.tabular
diffstat 2 files changed, 12 insertions(+), 1 deletions(-) [+]
line wrap: on
line diff
--- a/macros.xml	Wed Apr 15 14:30:09 2020 -0400
+++ b/macros.xml	Fri May 08 07:46:08 2020 -0400
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@VERSION@">2019.1.4</token>
+    <token name="@VERSION@">2019.1.5</token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="2019.1">gromacs</requirement>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/md_0_1.tabular	Fri May 08 07:46:08 2020 -0400
@@ -0,0 +1,11 @@
+0.000000	-593300.312500	-497358.281250	300.761719
+0.100000	-592522.125000	-497450.843750	298.032074
+0.200000	-593496.500000	-497942.718750	299.544647
+0.300000	-593921.062500	-497878.187500	301.077850
+0.400000	-593262.062500	-497926.406250	298.860870
+0.500000	-593674.437500	-498809.312500	297.385773
+0.600000	-594222.062500	-498825.562500	299.051605
+0.700000	-593496.625000	-498020.125000	299.302399
+0.800000	-593813.875000	-498131.031250	299.949219
+0.900000	-594351.437500	-498515.812500	300.428131
+1.000000	-595232.000000	-499672.000000	299.564087