[gmx-users] trjcat problems

Justin A. Lemkul jalemkul at vt.edu
Tue Nov 25 12:40:56 CET 2008



Q. Y. HUAN wrote:
> Dear all,
> 
> After trjcat, I wish to view the combined trajactory using ngmx. The problem is, how can i get the tpr combined file in oder to view the trajectory using ngmx?
> 

No such "combined" .tpr file is necessary; it wouldn't make any sense.  What's 
in a .tpr?  Initial coordinates and simulation parameters - would it make sense 
to concatenate such information?

Use the .tpr file that you used to run the initial MD as input into ngmx.  The 
.tpr is simply used to read in the initial coordinates and allow for the display 
of a subset of atoms (much like all Gromacs tools).

-Justin

> thanks for the help
> 
> QIU YI HUAN
> DEPARTMENT OF CHEMISTRY,
> FACULTY OF SCIENCE,
> UNIVERSITY PUTRA MALAYSIA,
> MALAYSIA.
> 
> 
>       
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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