[gmx-users] NAMD file (.inp) convert to GROMACS format
d.mohammadyani at gmail.com
Fri Jan 27 18:24:06 CET 2012
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 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
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