[gmx-users] compressibility value for SPC water

chetana baliga baliga.chetana at gmail.com
Wed Jan 10 05:29:54 CET 2007

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?


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