Nope, you can only use constant pressure in a periodic system.
jim
On Thu, 26 Sep 2002 dianah_at_unm.edu wrote:
>Hi,
>
>we used the solvate cap command to solvate a sphere of 30 Angstroms of
>water around the region of interest of our large DNA-protein system. Is
>it possible to run a constant pressure equilibration run with a
>solvated cap? That is, will the radius(volume) of the solvated cap
>adjust to achieve a constant pressure, or is the radius of the solvated
>cap fixed?
>
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Received on Fri Sep 27 2002 - 06:54:46 PDT
