Command for running NPT

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1

Hi all,

I would like to ask you about command for running NPT in LAMMPs.
I want my system to be compressed or expanded in only x direction (not in y or z direction)
I have already wrote this command for running NPT
fix 1 water npt temp 300.0 300.0 100.0 aniso 1.0 1.0 1000.0 0.0 0.0 1000.0 0.0 0.0 1000.0
But I cannot run this even with the new version of LAMMPs (lammps-30Aug12).
Could you help me?
Thank you so much.
Sincerely,

Anh
Research Assistant
CBME
University of Oklahoma

2

Hi all,

I would like to ask you about command for running NPT in LAMMPs.
I want my system to be compressed or expanded in only x direction (not in y
or z direction)
I have already wrote this command for running NPT
    fix 1 water npt temp 300.0 300.0 100.0 aniso 1.0 1.0 1000.0 0.0 0.0
1000.0 0.0 0.0 1000.0
But I cannot run this even with the new version of LAMMPs (lammps-30Aug12).
Could you help me?

this cannot work, since it is not correct. please have a closer look
at the manual: http://lammps.sandia.gov/doc/fix_nh.html

axel.