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

[Justin Lemkul]

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

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

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