Coarse Grained

Hi Users,

I’m interested in coarse-grained MD…

Going through VOCTA package( www.vocta.org) , I came to know , it can be used with LAMMPS,

HAVE anyone used it and can anyone help me in this regard .

Thanks in advance

karteek kumar

Hi Users,

I'm interested in coarse-grained MD..

Going through VOCTA package( www.vocta.org) , I came to know , it can be
used with LAMMPS,

there is no content. only says: this domain has been blocked.

HAVE anyone used it and can anyone help me in this regard .

no, however, LAMMPS' capabilities are well documented.
all you have to do is to look at what functional forms are
needed and translate the parameters from that package
to the corresponding entries or create suitable tabulations.

axel.

.... oh and of course. have you asked the authors of the package??

axel.

Hi Axel sir,

please try this link ( http://www.votca.org/home ).

In that package, at last , supported file formats, ( LAMMPS dump files) you can see.

Mostly, I’m intersted in ITERATIVE BOLTZMANN INVERSION method implemented in VOCTA package to find the NON-bonded potentials between Coarse Grained beads.

Can anyone done this.

Thanks.
karteek kumar

Hi Axel sir,

please try this link ( http://www.votca.org/home ).

In that package, at last , supported file formats, ( LAMMPS dump files) you
can see.

it can read lammps' dump files. so what?

Mostly, I'm intersted in ITERATIVE BOLTZMANN INVERSION method
implemented in VOCTA package to find the NON-bonded potentials between
Coarse Grained beads.

Can anyone done this.

they have a user support forum on google groups.
*that* is the place where you should ask.

axel.

Dear Karthik

Cool. Thanks for pointing out VOCTA, and posting your question on the
vocta google group. Incidentally, there was a question posted there
about LAMMPS compatibility on 6/12
http://groups.google.com/forum/?fromgroups=#!topic/votca/M2HKZMCCt9Q

Victor Ruhl (developer) replied:

Mostly, I'm intersted in ITERATIVE BOLTZMANN INVERSION method implemented in VOCTA package to find the NON-bonded potentials between >Coarse Grained beads.

I believe only a subset of VOTCA capability is currently supported
for LAMMPS, more for GROMACS. You should go to their
WWW site and correspond with the package owners to learn
the details or request new features.

Steve