[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 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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