<div dir="ltr"><div>Shalom,</div>
<div>As I understand, in the file "md.c", the function "do_md(...)" is the main function for MD, where equations of motion are integrated, and trajectory & log are printed.</div>
<div>The 13th argument for this function is "real ener[]".</div>
<div>I would like to know what is the order of the ener array. Any help is appreciated.</div>
<div>I suspect that each location holds the energy per type, for example - [0] might hold total energy, [1] might hold the bonds, etc`.</div>
<div>If I am wrong, then I must regress to a previous questions - how do energies are defined and stored in the variables?</div>
<div>Thank you, Omer Markovitch.<br clear="all"><br>Koby Levy research group,<br>Weizmann Institute of Science. <br><a href="http://www.weizmann.ac.il/sb/faculty_pages/Levy/">http://www.weizmann.ac.il/sb/faculty_pages/Levy/</a><br>
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