[gmx-users] NAMD file (.inp) convert to GROMACS format

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 27 17:26:39 CET 2012



Dariush Mohammadyani wrote:
> Hi all,
> 
> I have two files (Topology and Parameter files) in NAMD format (*.inp). 
> I am going to use them in GROMACS.
> Can you help me how can I use them?
> 

You'll have to have a good working knowledge of all file formats involved 
(which, for Gromacs, requires a thorough read through Chapter 5 of the manual) 
and design a script that will parse the relevant information from your existing 
files and write them into Gromacs format.

-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

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