[gmx-developers] velocity: gmxdump vs. interface, precision?

[Mehmet Suezen]

Hi,

I've just compared results of interface and gmxdump. *But they are not
quite the same.
In case of positions, they are very close.

Any idea, what could be the reason?

cheers,

Mehmet

gmxdump gives;
v (1536x3):
      v[    0]={ 7.36503e-01, -8.57067e-01,  7.37718e-01}
      v[    1]={ 6.71643e-01,  3.62874e-01,  6.77159e-01}
      v[    2]={ 1.50657e-01, -8.60839e-01, -9.45431e-02}
      v[    3]={ 1.38135e+00, -7.58055e-01, -8.14016e-01}
      v[    4]={ 4.33980e-01, -2.16724e+00,  1.24819e+00}
      v[    5]={ 1.77014e-01,  3.58265e-01, -2.77815e+00}
      v[    6]={-3.01506e-02,  7.85357e-01, -5.22182e-01}
      v[    7]={ 1.20010e+00, -1.38198e-01, -4.33350e-01}
      v[    8]={-1.24630e+00,  9.64708e-01,  5.24720e-01}
      v[    9]={ 3.95388e-01, -4.95744e-01,  6.13505e-01}

and the corresponding output of the interface;
-----------
 if(trn.v_size) {
               vxdyn[myindex]=fr.v[i][XX];
               vydyn[myindex]=fr.v[i][YY];
               vzdyn[myindex]=fr.v[i][ZZ];
                 printf("nframe %d Velocity x %f Velocity y %f Velocity
z %f \n",
                        
nframe,vxdyn[myindex],vydyn[myindex],vzdyn[myindex]);
           }
----------
nframe 0 Velocity x 0.804340 Velocity y -0.719031 Velocity z 0.780158
nframe 0 Velocity x 0.519643 Velocity y 0.370223 Velocity z 0.704696
nframe 0 Velocity x -0.090481 Velocity y -0.715459 Velocity z -0.181907
nframe 0 Velocity x 1.041339 Velocity y -0.620405 Velocity z -0.673146
nframe 0 Velocity x 0.514215 Velocity y -2.010526 Velocity z 1.178636
nframe 0 Velocity x 0.326832 Velocity y 0.273683 Velocity z -2.329099
nframe 0 Velocity x -0.004167 Velocity y 0.498045 Velocity z -0.372272
nframe 0 Velocity x 0.780044 Velocity y 0.008229 Velocity z -0.480785
nframe 0 Velocity x -1.115026 Velocity y 0.908866 Velocity z 0.331761