[gmx-users] g_clustsize

Mark Abraham mark.j.abraham at gmail.com
Tue May 19 21:23:07 CEST 2015


No, but you can probably use -mcn to get an index group of the atoms, and
work backwards from there. See gmx clustsize -h


On Tue, May 19, 2015 at 6:07 PM pratibha kapoor <kapoorpratibha7 at gmail.com>

> Hi,
> I have used g_clustsize to count the number of molecules (they differ by
> chain id) in the maximum populated cluster. Is it also possible to label
> these molecules? i.e. to print chain ids of these molecules with time in
> separate file?
> Thanks in advance
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