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,


M K Panigrahi


Department of Geology & Geophysics

I I T Kharagpur

WB India 721302

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