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

Mr.Sridhar sridhar at www.cdfd.org.in
Mon May 12 06:47:01 CEST 2003

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
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 ?


More information about the gromacs.org_gmx-users mailing list