# HG changeset patch
# User fmercuri
# Date 1624875896 0
# Node ID 6944c73fe6f9d8e71bbdeb312eb0f4743017d3dd
# Parent  c549135d400ba93acf71d1d3264000b3d74b3043
Uploaded

diff -r c549135d400b -r 6944c73fe6f9 nvt.xml
--- a/nvt.xml	Mon Jun 28 10:17:49 2021 +0000
+++ b/nvt.xml	Mon Jun 28 10:24:56 2021 +0000
@@ -18,7 +18,7 @@
         ln -s '$top_input' ./top_input.top &&
         ln -s '$itp_input' ./posres.itp &&
 
-        gmx grompp -f ./nvt.mdp -c ./em.gro -r ./em.gro -p ./top_input.top -o nvt.tpr &>> verbose.txt &&
+        gmx grompp -f ./nvt.mdp -c ./em.gro -r ./em.gro -p ./top_input.top -o nvt.tpr -maxwarn 4 &>> verbose.txt &&
         gmx mdrun -deffnm nvt &>> verbose.txt
         
         #if $str == 'pdb' or $str == 'both'