Re: [gmx-users] How to Identify clusters

2017-08-07 Thread Mark Abraham
Hi, The gromacs documentation pages list all the analysis programs available, along with a summary of what they can do. Each tool has its own documentation, too. Exploring that will tend to get you a useful answer sooner than emailing! Or at least a more focussed question. Mark On Sun, 6 Aug

Re: [gmx-users] How to Identify clusters

2017-08-06 Thread Anna Lappala
Write a program that identifies contacts within a given radius...? > On Aug 6, 2017, at 08:53, Sameer Edirisinghe wrote: > > Dear all, > > I need to identify clusters in my polymer system. I have 200ns simulation > trajectory and using this how can I identify the clusters

[gmx-users] How to Identify clusters

2017-08-06 Thread Sameer Edirisinghe
Dear all, I need to identify clusters in my polymer system. I have 200ns simulation trajectory and using this how can I identify the clusters existing in my system over the time? Need to find which molecules form the cluster. Can anyone suggest a method to do this? Regards Bhagya Karunarathna