Dariush Mohammadyani wrote:
Is there any similar script to change it for this reason?
If there is one that exists, it may have been posted to the User Contributions
page of the Gromacs website. If not, maybe someone will post one for you.
I've seen this question asked before with no answer, so likely it's time to
break out the NAMD and Gromacs manuals in concert with your favorite text editor
and scripting language, and have at it.
-Justin
On Fri, Jan 27, 2012 at 11:26 AM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
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
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========================================
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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