# HG changeset patch
# User fmercuri
# Date 1624877276 0
# Node ID 76856152f47af8edec8df90885892358c5a40f32
# Parent  7f3fb5575cf3652acf9df4e19e09510ba39a0c3c
Uploaded

diff -r 7f3fb5575cf3 -r 76856152f47a npt.xml
--- a/npt.xml	Mon Jun 28 10:44:34 2021 +0000
+++ b/npt.xml	Mon Jun 28 10:47:56 2021 +0000
@@ -19,7 +19,7 @@
         ln -s '$top_input' ./top_input.top &&
         ln -s '$itp_input' ./posres.itp &&
 
-        gmx grompp -f ./npt.mdp -c ./nvt.gro -r ./nvt.gro -t ./nvt.cpt -p ./top_input.top -o npt.tpr &>> verbose.txt &&
+        gmx grompp -f ./npt.mdp -c ./nvt.gro -r ./nvt.gro -t ./nvt.cpt -p ./top_input.top -o npt.tpr -maxwarn 4 &>> verbose.txt &&
         gmx mdrun -deffnm npt &>> verbose.txt
 
         #if $str == 'pdb' or $str == 'both'