-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On 10/14/2010 04:41 PM, Eudes Fileti wrote: > Dear Florian, thanks for the help. I wonder just one more thing. > Is it possible to obtain the lateral diffusion coefficient in a specific > plane (say xy) > using g_velacc? Or it is only possible with g_msd?
I am not sure, but the MSD is nothing else than the integrated VACF, so if you modify the code correspondingly it should work. The modification shouldn't be that hard, because you just have to prevent summing up a certain direction of the velocity. /Flo > Bests > eef > _______________________________________ > Eudes Eterno Fileti > Física da Matéria Condensada > Simulação Computacional de Nano-estruturas via Dinâmica Molecular > > > > - -- Florian Dommert Dipl.-Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart Phone: +49(0)711/685-6-3613 Fax: +49-(0)711/685-6-3658 EMail: [email protected] Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iEYEARECAAYFAky3ID4ACgkQLpNNBb9GiPkK2QCg3gMovcfuJRdOd9+IZ7KrmZ1u 2VgAoIPTQGVxyrmDUXi5PbPPg5tCr7h2 =PBOI -----END PGP SIGNATURE----- -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
