<br>Hi <br>I issue the g_dipole command on Gromacs => And, the following information is shown.<br>There are 10 molecules in the selection, <br>Does the Average =32.1611 refer to the average for a single over the simulation time?<br>
Or, the Average = 32.1611 summing for all the 10 molecules over the simulation time?<br>If the average = 32.1611 for a single molecule with 33 atoms / united atoms of most carbon groups, isn't the dipole moment too high?<br>
<br><br><br><br>What does "will subtract their charge at their center of mass" this mean?<br>Why "will subtract their charge at their center of mass" ?<br><br><br><br><br>==================================================================<br>
There are 10 molecules in the selection<br>There are 10 charged molecules in the selection,<br>will subtract their charge at their center of mass<br>Using Volume from topology: 220.317 nm^3<br><br>Back Off! I just backed up epsilon.xvg to ./#epsilon.xvg.1#<br>
<br>Back Off! I just backed up aver.xvg to ./#aver.xvg.1#<br>Last frame 10000 time 20000.000 <br>Average volume over run is 221.043<br><br>Dipole moment (Debye)<br>---------------------<br>Average = 32.1161 Std. Dev. = 2.9926 Error = 0.0095<br>
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