[gmx-users] Missing values in enery EDR

[Sergio Manzetti]

Hi, when running gmx energy on a simulation ouput, I get: 

------------------------------------------------------------------- 
1 Bond 2 Angle 3 Proper-Dih. 4 Ryckaert-Bell. 
5 Improper-Dih. 6 LJ-14 7 Coulomb-14 8 LJ-(SR) 
9 Disper.-corr. 10 Coulomb-(SR) 11 Coul.-recip. 12 Potential 
13 Pres.-DC 14 Pressure 15 Vir-XX 16 Vir-XY 
17 Vir-XZ 18 Vir-YX 19 Vir-YY 20 Vir-YZ 
21 Vir-ZX 22 Vir-ZY 23 Vir-ZZ 24 Pres-XX 
25 Pres-XY 26 Pres-XZ 27 Pres-YX 28 Pres-YY 
29 Pres-YZ 30 Pres-ZX 31 Pres-ZY 32 Pres-ZZ 
33 #Surf*SurfTen 34 T-rest 


and there are many missing values, and should be like : 

------------------------------------------------------------------- 
1 Angle 2 Proper-Dih. 3 Ryckaert-Bell. 4 Improper-Dih. 
5 LJ-14 6 Coulomb-14 7 LJ-(SR) 8 Coulomb-(SR) 
9 Coul.-recip. 10 Potential 11 Kinetic-En. 12 Total-Energy 
13 Conserved-En. 14 Temperature 15 Pressure 16 Constr.-rmsd 
17 Vir-XX 18 Vir-XY 19 Vir-XZ 20 Vir-YX 
21 Vir-YY 22 Vir-YZ 23 Vir-ZX 24 Vir-ZY 
25 Vir-ZZ 26 Pres-XX 27 Pres-XY 28 Pres-XZ 
29 Pres-YX 30 Pres-YY 31 Pres-YZ 32 Pres-ZX 
33 Pres-ZY 34 Pres-ZZ 
35 #Surf*SurfTen 36 Coul-SR:PRB-PRB 
37 LJ-SR:PRB-PRB 38 Coul-14:PRB-PRB 
39 LJ-14:PRB-PRB 40 Coul-SR:PRB-SOL 
41 LJ-SR:PRB-SOL 42 Coul-14:PRB-SOL 
43 LJ-14:PRB-SOL 44 Coul-SR:PRB-NA 45 LJ-SR:PRB-NA 46 Coul-14:PRB-NA 
47 LJ-14:PRB-NA 48 Coul-SR:PRB-CL 49 LJ-SR:PRB-CL 50 Coul-14:PRB-CL 
51 LJ-14:PRB-CL 52 Coul-SR:PRB-DNA 
53 LJ-SR:PRB-DNA 54 Coul-14:PRB-DNA 
55 LJ-14:PRB-DNA 56 Coul-SR:SOL-SOL 
57 LJ-SR:SOL-SOL 58 Coul-14:SOL-SOL 
59 LJ-14:SOL-SOL 60 Coul-SR:SOL-NA 61 LJ-SR:SOL-NA 62 Coul-14:SOL-NA 
63 LJ-14:SOL-NA 64 Coul-SR:SOL-CL 65 LJ-SR:SOL-CL 66 Coul-14:SOL-CL 
67 LJ-14:SOL-CL 68 Coul-SR:SOL-DNA 
69 LJ-SR:SOL-DNA 70 Coul-14:SOL-DNA 
71 LJ-14:SOL-DNA 72 Coul-SR:NA-NA 73 LJ-SR:NA-NA 74 Coul-14:NA-NA 
75 LJ-14:NA-NA 76 Coul-SR:NA-CL 77 LJ-SR:NA-CL 78 Coul-14:NA-CL 
79 LJ-14:NA-CL 80 Coul-SR:NA-DNA 81 LJ-SR:NA-DNA 82 Coul-14:NA-DNA 
83 LJ-14:NA-DNA 84 Coul-SR:CL-CL 85 LJ-SR:CL-CL 86 Coul-14:CL-CL 
87 LJ-14:CL-CL 88 Coul-SR:CL-DNA 89 LJ-SR:CL-DNA 90 Coul-14:CL-DNA 
91 LJ-14:CL-DNA 92 Coul-SR:DNA-DNA 
93 LJ-SR:DNA-DNA 94 Coul-14:DNA-DNA 
95 LJ-14:DNA-DNA 96 T-System 97 Lamb-System 



How can I try to recoved the missing values (the sim.mdp contains all groups in the tcl, so everything should work)? 

Thanks