<div>Hi,<br></div><div></div><div>I run a regular MD on a peptide with several conformations. I want to estimate the potential energy of each conformer. When I try using "g_energy" with the option of "Potential" using the corresponding ".edr" file, I am getting the average potential energy. But I am thinking that it is the average potential energy of the system rather than the peptide alone (correct me if I am wrong). There is no option with "g_energy" to use an index file. Also I am not sure is there any way I can create the ".edr" file for the peptide alone ? </div>
<div></div><div>Also let me know in case any other command would do the trick ?</div><div></div><div>Thanks in advance.</div><div></div><div>Ram.</div>