[gmx-users] Aggregation Analysis

Soham Sarkar soham9038 at gmail.com
Fri Sep 21 17:43:26 CEST 2018


gmx make_ndx is the tool to use for making grouos of your choice

On Fri, 21 Sep 2018, 8:51 pm Aishwarya Dhar, <dhar.aishwarya at gmail.com>
wrote:

>  Hi,
>
> What do you mean by atom selection and how do I do that  ?
>
> By using gmx clustersize we can get the index file containing the atom
> numbers of the largest cluster.  How can I get index file of all other
> aggregates in the system
>
> Aishwarya
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