[lammps-users] connection between PPPM and pressure damping factor

Dear all,
I Am trying to simulate the water using NPT.I Am coming across an error message as follows.
ERROR: Out of range atoms - cannot compute PPPM
I am working with real units and given pressure damping factor of 1000. When the damping factor is very high, above 100000, it ran for few time steps and showing the same message.Can anybody tell me what is the connection between these two.
Any comments and suggestion will be appreciated.

With regards,
Sharu B K
PG student
School of Nano Science and Technology
NIT Calicut

Dear all,
I Am trying to simulate the water using NPT.I Am coming across an error
message as follows.
ERROR: Out of range atoms - cannot compute PPPM

this is a very non-descript error and can mean anything from
having a bad initial geometry, wrong boundaries, too large a
time step, wrong potential parameters, wrong neighborlist settings,
to a miscompiled binary. the documentation discusses some
of the most common causes.

I am working with real units and given pressure damping factor of 1000.
When the damping factor is very high, above 100000, it ran for few time

actually, that would mean a _low_ damping. the number you provide is
a time constant. please check the documentation.

steps and showing the same message.Can anybody tell me what is the
connection between these two.

there is no direct connection. different NPT settings
result in different trajectories and that may trigger the
atom out of range error by chance earlier.

cheers,
    axel.