VMD-L Mailing List
From: simao.pereira_at_di3.units.it
Date: Thu Aug 16 2012 - 11:04:47 CDT
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Hi all,
I have a system with a nanoparticle and several chains grafted onto it. I would like to do some measurements on each chain (for instance radii of gyration).
The issue is that there is no straight way to select each individual chain (as far as I know).
Is there a way to select each chain, starting from the atom at the grafting point until the end of the chain?
I thought about selecting atoms by their connectivity but since chains are long (100 CRU) that may be a bit cumbersome.
Any (good) suggestion is welcome :)
Best,
Simão Pereira
P.S.: I have been using Materials Studio to create the initial system and LAMMPS to carry out the dynamics.
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DI3 - University of Trieste
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Email: simao.pereira_at_di3.units.it<mailto:simao.pereira_at_di3.units.it>
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- Next message: AnkiReddy katha: "multiple residues with same resid and problem with solvation using VMD"
- Previous message: Axel Kohlmeyer: "Re: how to get interaction energy"
- Next in thread: John Stone: "Re: select grafted chains in nanoparticle"
- Reply: John Stone: "Re: select grafted chains in nanoparticle"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]