[gmx-users] anisotropic coupling tau_p values
pragyachohan at hotmail.com
Mon Mar 31 18:02:24 CEST 2008
please refer to my mail http://www.gromacs.org/pipermail/gmx-users/2008-March/033024.html I posted a question regarding taup_p to be used with anisotropic coupling.
As qoted "A reasonable choice for relaxation time would be 100 fs. The compressibility and the relaxation time appear only as a ratio in the dynamics, so a larger compressibility is equivalent to a smaller relaxation time."
I want to ask if we can give the value of tau_p 0.0 for diagonal elements while specifying for anisotropic coupling.
Both tau_p 0.0 as well as 1.0 continue to run.
Any comments would be appreciated
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