[gmx-users] Potential energy of a single amino acid residu

[Tom Venken]

I get the following list:

Angle             Proper-Dih.       Ryckaert-Bell.    LJ-14
Coulomb-14        LJ-(SR)           LJ-(LR)           Coulomb-(SR)
Coul.-recip.      Potential         Kinetic-En.       Total-Energy
Temperature       Pressure-(bar)    Box-X             Box-Y
Box-Z             Volume            Density-(SI)      pV
Vir-XX            Vir-XY            Vir-XZ            Vir-YX
Vir-YY            Vir-YZ            Vir-ZX            Vir-ZY
Vir-ZZ            Pres-XX-(bar)     Pres-XY-(bar)     Pres-XZ-(bar)
Pres-YX-(bar)     Pres-YY-(bar)     Pres-YZ-(bar)     Pres-ZX-(bar)
Pres-ZY-(bar)     Pres-ZZ-(bar)     #Surf*SurfTen     Pcoupl-Mu-XX
Pcoupl-Mu-YY      Pcoupl-Mu-ZZ      Mu-X              Mu-Y
Mu-Z              Coul-SR:r_8-r_8   LJ-SR:r_8-r_8     LJ-LR:r_8-r_8
Coul-14:r_8-r_8   LJ-14:r_8-r_8     Coul-SR:r_8-rest  LJ-SR:r_8-rest
LJ-LR:r_8-rest    Coul-14:r_8-rest  LJ-14:r_8-rest    Coul-SR:rest-rest
LJ-SR:rest-rest   LJ-LR:rest-rest   Coul-14:rest-rest LJ-14:rest-rest
T-Protein         T-Non-Protein     Lamb-Protein      Lamb-Non-Protein