[gmx-developers] coordinates separated by molecules

Mark Abraham Mark.Abraham at anu.edu.au
Thu Feb 19 00:24:01 CET 2009


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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