# HG changeset patch
# User chemteam
# Date 1576700368 0
# Node ID fc287161befcd41d6876a3b27cdb8cf17f142120
# Parent 83d787befb8bd2f53acc2309d0952442db8ee08c
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit d75a4b4a47d2a74aacb6d3ff90755f9a5289cfb1"
diff -r 83d787befb8b -r fc287161befc macros.xml
--- a/macros.xml Sun Dec 01 14:05:14 2019 +0000
+++ b/macros.xml Wed Dec 18 20:19:28 2019 +0000
@@ -1,5 +1,5 @@
- 2019.1.3
+ 2019.1.4
gromacs
diff -r 83d787befb8b -r fc287161befc sim.xml
--- a/sim.xml Sun Dec 01 14:05:14 2019 +0000
+++ b/sim.xml Wed Dec 18 20:19:28 2019 +0000
@@ -5,7 +5,6 @@
Produce XVG output
+
+
+
+
+
+
@@ -221,33 +226,36 @@
- outps.str == 'gro' or outps.str == 'both'
+ outps["str"] == 'gro' or outps["str"] == 'both'
- outps.str == 'pdb' or outps.str == 'both'
+ outps["str"] == 'pdb' or outps["str"] == 'both'
- outps.traj == 'trr' or outps.traj == 'both'
+ outps["traj"] == 'trr' or outps["traj"] == 'both'
- outps.traj == 'xtc' or outps.traj == 'both'
+ outps["traj"] == 'xtc' or outps["traj"] == 'both'
- outps.cpt_out == 'true'
+ outps["cpt_out"] == 'true'
- outps.edr_out == 'true'
+ outps["edr_out"] == 'true'
- outps.xvg_out == 'true'
+ outps["xvg_out"] == 'true'
+
+ outps["tpr_out"] == 'true'
+
-
+
@@ -257,10 +265,12 @@
+
+
-
+
@@ -289,7 +299,7 @@
-
+
@@ -306,7 +316,7 @@
-
+
@@ -322,7 +332,6 @@
-