[gmx-users] disabling pbc while using trjconv

Irem Altan irem.altan at duke.edu
Wed Jan 20 18:50:21 CET 2016


Hi,

When generating trajectories with trjconv in .pdb format, is it possible to have the coordinates unwrapped? What I mean by this is to have coordinates the way they were in the original protein .pdb file: not wrapped into the unit cell (so that the protein is a single piece).

Best,
Irem


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