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Melting temperature for TIP4P/2005 water model !

  • JensenBreck
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7 years 1 month ago #711 by JensenBreck
JensenBreck created the topic: Melting temperature for TIP4P/2005 water model !
hello,

I want to study the interaction of protein and ice model (TIP4P/2005) at temperature 263K. Is it reasonable to simulate ice crystal with harmonic constraint at 263K?

As it is stated in article Vega et al., (2008, Faraday discussion,pg141), "it is possible to simulate ices up to temperatures about 80 K above the melting point", can I proceed with TIP4P/2005 ice model at 263K?


Thanks!



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