please someone suggest me why atoms are lost when I run this* program
for simulation time of 1ns.
In xyz file at 0 step number of atoms shows 11016 but after timestep of
10000 number of atoms remains only 9736 and after each timestep of
10000 atoms losts.why?
I want to keep temperature of 300k and for maintain this
temperature want to use Berendsen thermostat.
*My Input file is attached with this mail.
Thanking you
Basant Kumar Singh
Research Scholor
Chemistry Dept.
IITK
please someone suggest me why atoms are lost when I run this* program
for simulation time of 1ns.
In xyz file at 0 step number of atoms shows 11016 but after timestep of
10000 number of atoms remains only 9736 and after each timestep of
10000 atoms losts.why?
there are multiple possible reasons. explanations are given in the
LAMMPS manual and in the many, many, many discussions of the subject
on this mailing list.
I want to keep temperature of 300k and for maintain this
temperature want to use Berendsen thermostat.
*My Input file is attached with this mail.
please understand that this mailing list is not an input file debugging service.