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

[Dariush Mohammadyani]

Is there any similar script to change it for this reason?


On Fri, Jan 27, 2012 at 11:26 AM, Justin A. Lemkul <jalemkul at 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
>
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> ==============================**==========
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> Justin A. Lemkul
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> 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
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