Discussion:
extract coordinates of selected atoms
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Qin Shanshan
2007-09-20 15:26:01 UTC
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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.
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Mark Abraham
2007-09-20 15:35:55 UTC
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Post by Qin Shanshan
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
Yang Ye
2007-09-20 15:44:24 UTC
Permalink
g_traj
Post by Qin Shanshan
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.
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