Dear all, I read from the mailing list archives, that it is not just the value of tau_p but the ratio of compressibility to tau_p which matters in Berendsen presure coupling. I am using SPC water as the solvent. Is there any ideal value for compressibility to be used for SPC water? i have used a value of 4.5e-5, and a tau_p of 1.0 ps, and my pressure coupling is isotropic. Should the tau_p value be increased or decreased to get a pressure average closer to ref_p?
Regards, Chetana.
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