[gmx-users] Re: Simulation of 2D lattice model

James Starlight jmsstarlight at gmail.com
Sun Dec 30 10:00:23 CET 2012

Hi Leandro!

Actually I need such model of simple 2D lattice for study of the
hessian matrix. So I'd like to perform simulation of very simple
system without any rotation freedoms and calculate eigenvectors from
that trajectory by means of Esential dynamics analysis. Than I'd like
to watch on what exactly principal components different motions would
be observed. Finally I'd like to calculate normal modes from different
MD snapshots and compare different sub-spaces with the EDA results. So
any aproximate system for such task would be suitable (I've decided to
use lattice because it's most simple that I've imagine ). By the way I
supose that such topology coupld be eaasily done from topology of
fullerene :) But I've lack it too.


2012/12/30 Leandro Bortot <leandro.obt at gmail.com>:
> Leandro

More information about the gromacs.org_gmx-users mailing list