[gmx-users] Write the total dipole moment on-the-fly?

HAO JIANG jianghao at umich.edu
Sat Nov 26 22:43:16 CET 2011

Dear All,

Is there a way to let GROMACS to calculate and write the total dipole moment on-the-fly? 

I realize that g_dipoles can be used to calculate the total dipole moment using a stored trajectory. However, for a large system it is not very feasible to write the trajectory at a frequency good enough for spectra analysis.


Hao Jiang
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