chris... at pnl.gov
Sat May 5 01:11:00 CEST 2007
As Juerg said, NPT is fully operational. For use of the thermostating
issues, please look in /tests/FIST/regtest and
look for input files with NPT or grep for the section NPT. This
On May 2, 11:40 am, "Nichols A. Romero" <naro... at gmail.com> wrote:
> Sorry for all my questions.
> I am interested in NPT dynamics simulation. I would like to understand how
> this is implemented.
> MD&NOSE is the NoseHoover Thermostat chains (for use with NVT), while
> seems to have its own thermostat. So the barostat has its on thermostat, and
> Thermostat chains (MD&NOSE) should not be used in conjuction with the
> Thanks for all your help.
> Nichols A. Romero, Ph.D.
> 1613 Denise Dr. Apt. D
> Forest Hill, MD 21050
> 443-567-8328 (C)
> 410-306-0709 (O)
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