Pressure Berendson/NVT/NPT/NPH don't work in S P P boundry condition

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1

Dear all,

When we run simulation using boundary S P P

Following error happen

ERROR: Cannot use fix press/berendsen on a non-periodic dimension (fix_press_berendsen.cpp:179)

similar error appear for nvt/npt/nph

ERROR: Cannot use fix nvt/npt/nph on a non-periodic dimension (fix_nh.cpp:331).

Pls suggest.

jonny

2

Dear all,

When we run simulation using boundary S P P

Following error happen

ERROR: Cannot use fix press/berendsen on a non-periodic dimension
(fix_press_berendsen.cpp:179)

similar error appear for nvt/npt/nph

ERROR: Cannot use fix nvt/npt/nph on a non-periodic dimension
(fix_nh.cpp:331).

the error message says it all. you must not couple a barostat to a
non-periodic dimension.
it doesn't make sense anyway.

Pls suggest.

please correct your input.

axel.