[gmx-users] interaction energy

[balaji nagarajan]

Dear Users ! 

Now i am able to do the protein solvent interaction ! 

thanks ! i have understood !

when i used the energygrps  , 
when i used the 
g_energy -f em.edr

this command it prints all terms and asks to make selection as below, 

 1  Bond             2  Angle            3  Proper-Dih.      4  Ryckaert-Bell.
  5  LJ-14            6  Coulomb-14       7  LJ-(SR)          8  LJ-(LR)
  9  Coulomb-(SR)    10  Coul.-recip.    11  Potential       12  Pressure
 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         23  Pres-XY         24  Pres-XZ
 25  Pres-YX         26  Pres-YY         27  Pres-YZ         28  Pres-ZX
 29  Pres-ZY         30  Pres-ZZ         31  #Surf*SurfTen   32  Mu-X
 33  Mu-Y                                34  Mu-Z
 35  Coul-SR:Protein-Protein             36  LJ-SR:Protein-Protein
 37  LJ-LR:Protein-Protein               38  Coul-14:Protein-Protein
 39  LJ-14:Protein-Protein               40  Coul-SR:Protein-SOL
 41  LJ-SR:Protein-SOL                   42  LJ-LR:Protein-SOL
 43  Coul-14:Protein-SOL                 44  LJ-14:Protein-SOL
 45  Coul-SR:SOL-SOL                     46  LJ-SR:SOL-SOL
 47  LJ-LR:SOL-SOL                       48  Coul-14:SOL-SOL
 49  LJ-14:SOL-SOL   50  T-rest

-------------------------------------------------------

how one can write this all to a file ! 

thanks in advance ! 



 		 	   		  
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