Dear Lammps users,
I am trying to simulate a liquid on mica surface using CVFF ( aug for ionic
My system has 17000 atoms and has following dimension: x= 240 Angstrom ( ~180 A
vacuum), y=z= 65 A. Periodic in all direction.
I can do minimization on the system , but it gives error afterwords ( in NVE
/NVT/ NPT step following minimization).
I get errors like this: Bond atom/ dihedral atoms/ angle atom missing.
I tried to increase the cutoff distance, increase neighbor list, reduce the time
step, but nothing seem to work.
I need some suggestion how to solve this issue.
Thank you very much for your help.
My input file is like this :
#Defining the different potential types
pair_style lj/cut/coul/long 22 22
kspace_style pppm 0.0001
pair_modify shift yes mix arithmetic
#Data Reading and neighbouring information
neighbor 2.0 bin
neigh_modify every 1 delay 0 check yes one 40000 page 2000000
#dump 1 all xyz 100 dump_min.xyz
#minimize 0 1.0e-8 1000000 1000000
fix 1 all nve/limit 0.1
#fix 1 all nve
dump 2 all xyz 100 dump_nve.xyz