[gmx-users] template.c

[Sukit Leekumjorn]

Dear gmx-users,

I was wandering if there is a way to get the residue number from trr and 
tpr file using template.c. After initiating "read_tps_conf" line one can 
get information below:

top.atoms.atomname[n] give name of atom "n" like "C1"
top.atoms.resname[n] give name of atom "n" like "DPPC"
top.atoms.atom[n].q gives the charge of atom "n"
top.atoms.atom[n].m gives the mass of atom "n"

    2 DPPC    C1   51   8.129   2.515   1.963  0.7615  0.3067 -0.5170
    2 DPPC    C2   52   8.020   2.566   1.757  0.1626  0.6517 -0.3182
    2 DPPC    C3   53   7.967   2.673   1.965 -0.4361  0.1626  0.2656
    2 DPPC    N4   54   8.076   2.623   1.880 -0.4759  0.2395  0.1689

Basically, from the .gro file, I would like to have the number "2" in 
the first column using specific command that is corresponding to the 
index number (n).

Any help would be greatly appreciated,
Sukit