[gmx-developers] coordinates separated by molecules

[Dallas B. Warren]

Have a look at the Gromacs Intro page in the Development section of  
the wiki, that may have what you are looking for.

Catch ya,
Dallas Warren

A polar bear is a Cartesian bear that has undergone a polar  
transformation

On 19/02/2009, at 10:27 AM, "Mark Abraham" <Mark.Abraham at anu.edu.au>  
wrote:

> Alexander Malafeev wrote:
>> Hi, GROMACS users!
>> Please, tell me how to get access to atoms coordinates in  
>> determined molecule in main loop of gromacs template?
>
> Look at the source code for some other utility that does a similar  
> job and see how it does it.
>
> Mark
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