[gmx-users] .top file from .tpr and .xtc

[Justin Lemkul]

On 3/18/13 12:35 PM, shahid nayeem wrote:
> Hi
> Is it possible to write .top file from .xtc and .tpr using index.ndx
> so that .top is available for tailormade components of simulated
> protein.
>

All topology information is in the .tpr, but not in .top format.  You may be 
able to post-process the output of gmxdump to produce some hacked version, but 
that's just a bit of a hand-waving guess.  I don't really understand what your 
objective is.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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