[gmx-users] converting xtc to pdb without need to tpr file using trjconv

Justin Lemkul jalemkul at vt.edu
Mon Aug 7 16:38:18 CEST 2017

On 8/7/17 2:42 AM, Neda Rafiee wrote:
> Dear users,
> Anyone knows how can I use trjconv to convert an xtc file to pdb format without need to tpr file ?

trjconv does accept PDB files to -s but then you don't get PBC or connectivity 
information.  You need to provide some source of atom and residue names, because 
none of that is in an XTC file.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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