# HG changeset patch
# User chemteam
# Date 1581583900 18000
# Node ID e9cc595562b820cf93dcf652202fad16627a7f1f
# Parent  bb0053c4e4f21e503c675b81ea95a0d2cd4e0f43
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit e40a6ea54592a2c6e40e44bbad52985fcdcaddb3"

diff -r bb0053c4e4f2 -r e9cc595562b8 trj.xml
--- a/trj.xml	Tue Jan 21 07:29:43 2020 -0500
+++ b/trj.xml	Thu Feb 13 03:51:40 2020 -0500
@@ -44,7 +44,7 @@
     -b '$time.b'
     -dt '$time.dt'
     -o ./output.${output_format} &&
-      
+    &>> verbose.txt &&
     mv ./output.${output_format} '$output'
 
     ]]></command>
@@ -77,13 +77,13 @@
                 </param>
                 <param name="ur" type="select" label="Unit cell representation" >
                     <option value="rect">rect</option>
-                    <option value="tric" selected="true">tric</option>
-                    <option value="zero">zero</option>
+                    <option value="tric">tric</option>
+                    <option value="compact">compact</option>
                 </param>
                 <param name="boxcenter" type="select" label="Center for PBC and centering treatment" >
                     <option value="rect">rect</option>
-                    <option value="tric">tric</option>
-                    <option value="compact">compact</option>
+                    <option value="tric" selected="true">tric</option>
+                    <option value="zero">zero</option>
                 </param>
             </when>
             <when value="trjcat">
@@ -109,7 +109,7 @@
             <change_format>
                 <when input="output_format" value="trr" format="trr"/>
                 <when input="output_format" value="xtc" format="xtc"/>
-                <when input="output_format" value="gro" format="dcd"/>
+                <when input="output_format" value="gro" format="gro"/>
                 <when input="output_format" value="pdb" format="pdb"/>
             </change_format>
         </data>