# HG changeset patch
# User fmercuri
# Date 1624877074 0
# Node ID 7f3fb5575cf3652acf9df4e19e09510ba39a0c3c
# Parent  e600dd282f81927599c96a4311af043595251eec
Uploaded

diff -r e600dd282f81 -r 7f3fb5575cf3 macros.xml
--- a/macros.xml	Mon Jun 28 10:44:23 2021 +0000
+++ b/macros.xml	Mon Jun 28 10:44:34 2021 +0000
@@ -43,6 +43,7 @@
                 </param>
                 
                 <param argument="temperature" type="integer" label="Temperature /K" value="0" min="0" max="1000000" help="Temperature" />
+                <param argument="sysname" type="text" label="system name" help="System name" />
                 <param argument="step_length" type="float" label="Step length in ps" value="0" min="0.0001" max="1.0" help="Step length in ps." />
                 <param argument="write_freq" type="integer" label="Number of steps that elapse between saving data points (velocities, forces, energies)" value="0" min="0" max="1000000" help="Step length in ps." />
                 <param argument="rcoulomb" value="1.0" type="float" label="Distance for the Coulomb cut-off."/>
@@ -81,6 +82,7 @@
         <param name="md_steps" value="500"/>
         <param name="write_freq" value="50"/>
         <param name="temperature" value="300"/>
+        <param name="sysname" value="Protein"/>
         <param name="integrator" value="md" />
         <param name="constraints" value="all-bonds"/>
         <param name="cutoffscheme" value="Verlet" />