[gmx-users] extract coordinates of selected atoms

Mark Abraham Mark.Abraham at anu.edu.au
Thu Sep 20 17:35:55 CEST 2007


Qin Shanshan wrote:
> Dear gms-users,if I want to extract coordinates of selected 
> atoms changing with time,what should I do? I have seen in manual 3.2 
> page 167 that g_coord could do this kind of job, however, I can't find 
> this programm in gromacs.Is there any other method?
> Thanks in advance.

Use an up-to-date installation of GROMACS, and check out section 7.4 of
the up-to-date manual, which should clue you in to using g_traj.

Mark



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