[gmx-users] trjconv -conect

[vijaya subramanian]

Hi
I am trying to add conect records to a cg trajectory under gromacs 4.5.4 as follows:
trjconv -s CONECT.PDB -f traj.xtc -conect  -o testconect.pdb

or with one frame

trjconv -s CONECT.PDB -f oneframe.pdb -conect  -o testconect.pdb

but dont see any conect records in the output file.

The conect records are in the input to -s , conect.pdb and in the following format:
...
ATOM   4125  CA  HIS X 173     107.816 143.564  71.946  1.00  0
ATOM   4126  CA  THR X 174     110.288 142.372  69.327  1.00  0
ATOM   4127  CA  LEU X 175     111.958 139.227  70.607  1.00  0
ATOM   4128  CA  GLY X 176     108.771 138.107  72.357  1.00  0
CONECT    1    2
CONECT    2    3
CONECT    3    4
CONECT    4    5
CONECT    5    6
CONECT    6    7
CONECT    7    8
CONECT    8    9
CONECT    9   10
CONECT   10   11
CONECT   11   12
CONECT   12   13
CONECT   13   14
CONECT   14   15
CONECT   15   16
CONECT   16   17
CONECT   17   18
CONECT   18   19
CONECT   19   20
CONECT   20   21
CONECT   21   22
...

What should I do differently to get the conect records in the output file?


Thanks in advance.
Vijaya
 		 	   		  
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