On 10/18/12 11:21 AM, Ali Alizadeh wrote:
Dear All users
Average pressure(for my npt equilibration) could not reach my desired
value(300 bar desired , average value =279 bar)
Can i continue my npt equilibration in another npt equilibration for
reach my desired value?
Seems logical to me. Equilibration isn't done until you've actually
equilibrated under the desired conditions. Note that high pressures will
probably take a long time to converge. Pressure is fickle to begin in small
systems.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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