[gmx-users] analysis tools

Justin A. Lemkul jalemkul at vt.edu
Tue Sep 6 14:17:24 CEST 2011

Namd Namd wrote:
> Dear All,
> I’m a new NAMD user and use NAMD and VMD for simulations. I want to ask 
> a question about trajectory analysis. I examined the gromacs 4.5.4 tools 
> for making analysis and decided to use some of them for my NAMD output 
> files. Is there a way to convert my namd output files into gromacs 4.5.4 
> outputs and use gromacs 4.5.4  analysis tools ?
> I will be very happy if you inform me about this issue.

Gromacs tools can read any trajectory format that VMD can read, provided you 
have the VMD libraries available.  That said, many analysis tools still require 
a .tpr file, which means you need a Gromacs topology of your system so you can 
assemble this input.



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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