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