[gmx-users] Extracting PDB files from .trr trajectory file

[Mr.Sridhar]

I ran a MD simulation of  protein containing heme in water.
I wanted to get pdb files of individual time steps. I gave the following
command.
trjconv -f md_WT.xtc -o md_WT.pdb -sep

The PDB files were generated buf without "heme" cofactor in it.
How can we get files having both the protein + cofactor coordinates ?

sridhar.