On 19/04/17 14:21, Debraj Das wrote:
Dear Gromacs users,
What is the method to compute the error of dipole moment calculation in
Gromacs ? I have done the equilibration for 10ns and the dipole moment is
calculated from g_dipoles. I got the error written over there. But I am not
able to find out in what method it is calculated.
Devraj Das
just standard deviation or standard error. for rigid molecules it will
be zero.
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David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se
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