[gmx-users] trjconv -pbc

Justin A. Lemkul jalemkul at vt.edu
Sat Oct 30 15:48:01 CEST 2010

atila petrosian wrote:
> Hi gmx users
> Perhaps, this question be repetitive. I want to know using trjconv -pbc 
> is only a solution for visualization problem? Is there
> feasibility to use old trajectory file (with out trjconv -pbc) for any 
> kind of analysis without any problem?

Most Gromacs tools handle PBC internally, so using trjconv is not required. 
There are some tools, however (g_rms, g_gyrate, etc) that do not, thus requiring 
a "fixed" trajectory.  There was some discussion about this topic just the other 
day; please check the list archive.


> -- 
> Atila Petrosian
> Ph.D. student of BioPhysical Chemistry
> University of Oulu,Finland


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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