--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/acpype_Amber2Gromacs.xml	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,64 @@
+<tool id="acpype_Amber2Gromacs" name="Convert Amber topology and coordinate files to GROMACS format" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
+    <description>using acpype</description>
+    <macros>
+        <import>macros.xml</import>
+        <token name="@GALAXY_VERSION@">0</token>
+    </macros>
+    <expand macro="requirements">
+        <requirement type="package" version="2021.02.05.22.15">acpype</requirement>
+    </expand>
+    <command detect_errors="exit_code"><![CDATA[
+        ln -s '$input1' ./input1.${input1.ext} &&
+        ln -s '$input2' ./input2.${input2.ext} &&
+        acpype -p './input1.${input1.ext}' -x './input2.${input2.ext}' 
+        
+    ]]></command>
+    <inputs>
+        <param name="input1" type="data" format="txt" label="Amber Topology file" help="Topology file (prmtop) generated in Tleap"/>
+        <param name="input2" type="data" format="txt" label="Amber Coordinate file" help="Coordinate file (inpcrd) generated in Tleap"/>
+    </inputs>
+    <outputs>
+        <data format="top" name="top_output" label="GROMACS topology file" from_work_dir='*.top'/>
+        <data format="gro" name="gro_output" label="GROMACS coordinate file" from_work_dir="*.gro"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="input1" value="cid1.prmtop"/>
+            <param name="input2" value="cid1.inpcrd"/>
+            <output name="top_output">
+                <assert_contents>
+                    <has_line line="[ defaults ]"/>
+                    <has_text text="1               2               yes             0.5     0.8333"/>
+                    <has_text text=" ca       ca          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860"/>
+                </assert_contents>
+            </output>
+            <output name="gro_output">
+                <assert_contents>
+                    <has_text text=" 42"/>
+                    <has_text text="    1  UNL   C1    1  41.372  -2.389   7.399"/>
+                    <has_text text="    1  UNL  H42   42  41.256  -2.276   7.041"/>
+                    <has_text text="   11.59200    12.19000    23.64000"/>
+                </assert_contents>
+            </output>
+        </test>
+    </tests>
+    <help><![CDATA[
+Tool to produce GROMACS topology and coordinate files from systems generated with AmberTools' Tleap.
+
+.. class:: infomark
+
+**Input**
+
+The input files are the standard topology (prmtop) and coordinate (inpcrd) files that are generally produced as outputs when processing a structure through Tleap.
+
+.. class:: infomark
+
+**Outputs**
+
+GROMACS topology (TOP) and coordinate (GRO) files.
+
+    ]]></help>
+    <expand macro="citations">
+        <citation type="doi">doi:10.1186/1756-0500-5-367</citation>
+    </expand>
+</tool>