Have someone else any ideas how the topology for a simple 2D lattice could be done ?:)
I've tried to build it manually but for the system of 48 nodes definition of the angles and impropers have appeared very routinely :( James 2012/12/30, James Starlight <jmsstarli...@gmail.com>: > 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. > > > James > > 2012/12/30 Leandro Bortot <leandro....@gmail.com>: >> Leandro > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
