[gmx-users] g_potential: better precision
sunnytov at hotmail.com
Mon Oct 30 04:01:41 CET 2006
I am trying to calculate membrane potential from the charge density.
I have calculated membrane potential from the charge density profile
obtained from g_potential function. But I've got unmatched potential
between block-averaged(10 ns *6) potential and the potential from the whole
trajectory (60 ns *1). Roundoff error in charge density calculation was the
reason for the unmatched potential.
So I am wondering if anyone can guide me so that I can increase the
precision of the charge density in the output file of g_potential.
Any suggesion will be appreciated!
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