[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

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



More information about the gromacs.org_gmx-users mailing list