[gmx-users] atomname2types.n2t explanation

[Marcelo Depólo]

Hi


Can someone explain what does each column on atomname2types.n2t mean?

For gromos53a5 it is:

H       H    0.408  1.008      1  O     0.1
O       OA  -0.674 15.9994  2  C     0.14 H 0.1
C       CH3  0.000 15.035    1  C     0.15
C       CH0  0.266 12.011    4  C     0.15 C 0.15     C 0.15     O 0.14

I suppose the first column is the target atom name, the second is the atom
type, the third is charge and the fourth is mass.

Is the fifth the number of bonds? And the others?

Thanks in advance!
--
Marcelo