[gmx-developers] coordinates separated by molecules

Mark Abraham Mark.Abraham at anu.edu.au
Thu Feb 19 00:23:01 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.


More information about the gromacs.org_gmx-developers mailing list