Hi All,
I am learning MD simulation and also using DL_POLY. My interest is in understanding Silica-Water interaction and contact angle variation under different stress regimes. I see that people are doing such work using non-equilibrium MD simulation. I shall greatly appreciate if anybody could share his/her experience. I am not sure whether it is possible to do non-equilibrium simulation using DL_POLY.
Thanks in advance. Kind regards,
MKP
M K Panigrahi
Professor
Department of Geology & Geophysics
I I T Kharagpur
WB India 721302
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