<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div id="yiv1415875784"><div><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-family: 'times new roman', 'new york', times, serif; "><div id="yiv1415875784yui_3_2_0_15_133119880680140" style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; ">Dear Gromacs users,</div><div id="yiv1415875784yui_3_2_0_15_133119880680140" style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; ">After running two different simulations, one Hypercin molecule solvated in water and the other one with 2 Hypericin molecules solved in water as well. After that I used g_energy to extract the kinetic energy of the first simulation,but the values are pretty high (it's about 5400 kJ/mol and for the second one is 28000 kJ/mol). I wonder if g_energy extracts the energy
values from the whole system including the water molecules,and if it is so is there any way to extract the kinetic energy values of the Hypericin molecules?</div><div id="yiv1415875784yui_3_2_0_15_133119880680140" style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt; "><span style="font-size: 16px; ">Thanks in Advance</span><br></div><div id="yiv1415875784yui_3_2_0_15_133119880680140"><div style="font-size: 12pt; font-family: times, serif; "><font face="'times new roman', 'new york', times, serif" size="3"><br></font></div><div style="font-size: 12pt; font-family: times, serif; "><font face="'times new roman', 'new york', times, serif" size="3">Hovakim Grabski</font></div><div style="font-size: 12pt; font-family: times, serif; "><font face="'times new roman', 'new york', times, serif" size="3">Russian-Armenian(Slavonic) University</font></div></div></div></div></div></div></body></html>