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Dear Users ! <br><br>I have took a penta peptide and did topology generation , <br><br>I have solvated it with water box , <br><br>now i did a minimization with zero step , to know the energy of the initial molecule , <br><br>i used g_energy for the out put , <br><br>like<br><br>$ g_energy -f em.edr<br><br>it gives as follows , i have to type number to get energy ! <br><br>--------------------------------------------------------------------<br><br>but it lists Select the terms you want from the following list by<br>selecting either (part of) the name or the number or a combination.<br>End your selection with an empty line or a zero.<br>-------------------------------------------------------------------<br> 1 Bond 2 Angle 3 Proper-Dih. 4 Ryckaert-Bell.<br> 5 LJ-14 6 Coulomb-14 7 LJ-(SR) 8 LJ-(LR) <br> 9 Coulomb-(SR) 10 Coul.-recip. 11 Potential 12 Pressure <br> 13 Vir-XX 14 Vir-XY 15 Vir-XZ 16 Vir-YX <br> 17 Vir-YY 18 Vir-YZ 19 Vir-ZX 20 Vir-ZY <br> 21 Vir-ZZ 22 Pres-XX 23 Pres-XY 24 Pres-XZ <br> 25 Pres-YX 26 Pres-YY 27 Pres-YZ 28 Pres-ZX <br> 29 Pres-ZY 30 Pres-ZZ 31 #Surf*SurfTen 32 Mu-X <br> 33 Mu-Y 34 Mu-Z 35 T-rest <br><br>----------------------------<br><br>Is there any way to get the energy of the protein and the energy of protein and water alone <br><br>I dont need water water interactions ! <br><br><br><br>how to do this ! <br><br>thanks in advance <br><br><br><br><br>                                            </div></body>
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