[gmx-users] g_potential: better precision

이 선주 sunnytov at hotmail.com
Mon Oct 30 04:01:41 CET 2006

Dear All,

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!

Thank you

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