I am new to LAMMPS and i am trying to perform to minimize water molecules.
In the output listed while minimizing, i found that the pressure is having a negative value.
I tried to perform some NVT simulations also. Still the pressure term displays a negative value.
Could you please kindly let me know why is it. Herewith i have attached my input script.
Kindly let me know what can i do.
#Lammps Input script for water
processors * * *
boundary p p p
#Defining different potential types
pair_style lj/cut/coul/long 10.0 9.0
kspace_style ewald 0.01
#Data reading and neighbouring
neighbor 2.0 bin
neigh_modify every 1 delay 0 check yes
minimize 1.0e-6 1.0e-8 500 1000
fix 1 all nvt temp 300.0 300.0 10.0
#fix 2 all temp/berendsen 300.0 300.0 100.0 # Not Necessary when NVT is used
dump 1 all xyz 100 dump.water.xyz