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Dear Users ! <br><br>Now i am able to do the protein solvent interaction ! <br><br>thanks ! i have understood !<br><br>when i used the energygrps , <br>when i used the <br>g_energy -f em.edr<br><br>this command it prints all terms and asks to make selection as below, <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<br> 35 Coul-SR:Protein-Protein 36 LJ-SR:Protein-Protein<br> 37 LJ-LR:Protein-Protein 38 Coul-14:Protein-Protein<br> 39 LJ-14:Protein-Protein 40 Coul-SR:Protein-SOL<br> 41 LJ-SR:Protein-SOL 42 LJ-LR:Protein-SOL<br> 43 Coul-14:Protein-SOL 44 LJ-14:Protein-SOL<br> 45 Coul-SR:SOL-SOL 46 LJ-SR:SOL-SOL<br> 47 LJ-LR:SOL-SOL 48 Coul-14:SOL-SOL<br> 49 LJ-14:SOL-SOL 50 T-rest<br><br>-------------------------------------------------------<br><br>how one can write this all to a file ! <br><br>thanks in advance ! <br><br><br><br>                                            </div></body>
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