[gmx-users] creating a trajectory

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 23 20:29:46 CEST 2008

rams rams wrote:
> Dear users,
> I extracted the pdb files from .trr and modified them according to my 
> needs and I would like to convert the modified pdb files as a trajectory 
> again to make use of gromacs tools. Is it possible in any means to do 
> like that ?

Convert them back to .xtc/.trr using trjconv, and stitch them back together 
using trjcat.


> Thanks.
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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