# [gmx-users] G_Energy calculation ?'s

DaJustice1 at aol.com DaJustice1 at aol.com
Tue Apr 15 17:38:00 CEST 2003

```Hello fellows,

Thank you for replying to my email, but I need some clarification on the
calculation of the Coulomb (LR).   Does Coulomb (LR) go by an another name?
The following are the selections that g_energy gives to the user.

Select the terms you want from the following list
1=          Angle    2=    Proper Dih.    3= Improper Dih.    4=
LJ-14
5=     Coulomb-14    6=        LJ (SR)    7=   Coulomb (SR)    8=
Potential
9=    Kinetic En.   10=   Total Energy   11=    Temperature   12=Pressure
(bar)
13=         Vir-XX   14=         Vir-XY   15=         Vir-XZ   16=
Vir-YX
17=         Vir-YY   18=         Vir-YZ   19=         Vir-ZX   20=
Vir-ZY
21=         Vir-ZZ   22= Pres-XX (bar)   23= Pres-XY (bar)   24= Pres-XZ
(bar)
25= Pres-YX (bar)   26= Pres-YY (bar)   27= Pres-YZ (bar)   28= Pres-ZX
(bar)
29= Pres-ZY (bar)   30= Pres-ZZ (bar)   31= #Surf*SurfTen   32=
Mu-X
33=           Mu-Y   34=           Mu-Z   35=      T-Protein   36=
Lamb-Protein
37=          T-SOL   38=       Lamb-SOL   39=         T-HEME   40=
Lamb-HEME
41=           T-OO   42=        Lamb-OO   43=          T-PAR   44=
Lamb-PAR

I apologize, it is probably missing something, but I need to figure this out.