<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear gmx-users,<br><br>I am trying to obtain 1/viscosity values for my system after using the cos_acceleration option in the mdp file. My gromacs version is 4.5.4 released on March 21, 2011. <br><br>When I try using the g_energy option for my file<br><br>g_energy -f ener.edr -o outfile.xvg<br><br>I get the following options<br><br>End your selection with an empty line or a zero.<br>-------------------------------------------------------------------<br> 1 Bond 2 Angle 3 Improper-Dih. 4 LJ-(SR) <br> 5 Disper.-corr. 6 Coulomb-(SR) 7
Potential 8 Kinetic-En. <br> 9 Total-Energy 10 Conserved-En. 11 Temperature 12 Pres.-DC <br> 13 Pressure 14 Box-XX 15 Box-YY 16 Box-ZZ <br> 17 Box-YX 18 Box-ZX 19 Box-ZY 20 Volume <br> 21 Density 22
pV 23 Enthalpy 24 Vir-XX <br> 25 Vir-XY 26 Vir-XZ 27 Vir-YX 28 Vir-YY <br> 29 Vir-YZ 30 Vir-ZX 31 Vir-ZY 32 Vir-ZZ <br> 33 Pres-XX 34 Pres-XY 35 Pres-XZ
36 Pres-YX <br> 37 Pres-YY 38 Pres-YZ 39 Pres-ZX 40 Pres-ZY <br> 41 Pres-ZZ 42 #Surf*SurfTen 43 Mu-X 44 Mu-Y <br> 45 Mu-Z 46 T-System 47 Lamb-System <br><br><br>I am not sure which option (1 to 47) gives 1/viscosity. I tried looking through the manual and searching the user list but could not resolve the issue.<br><br>Please let me know what am I missing
here.<br><br>Thanks,<br>SN <br><br><br></td></tr></table>