[gmx-developers] mtop structure

[Mark Abraham]

Alexander Malafeev wrote:
> 
>     Alexander Malafeev wrote:
> 
>         Hello, please tell me how to read mtop structure?


> I am uderstand how to use fields in this structure and what it means, 
> but I am not understand how to initialize and read this structure from 
> trajectory.

Well that's a different question. You should start by searching the code 
for where it gets used and learn what you can from the way GROMACS fills 
this data structure. You may find the ideas about how to search the code 
base in this thread useful. 
http://www.gromacs.org/pipermail/gmx-developers/2008-October/002856.html

Mark