VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed May 09 2007 - 16:41:10 CDT

On Wed, 9 May 2007, Francesco Pietra wrote:

francesco,

you do _not_ need VMD to run NAMD and vice versa.
so you can install each of them separately on different
machines in different versions even.

in (unlikely) case you want to do interactive MD
right away, please check out the corresponding
tutorials on the NAMD and VMD homepages.

generally, i strongly recommend working through
a couple of the tutorials before trying something
serious.

for many cases, it will be sufficient to use the
precompiled binaries. please make sure that you
read the release notes for your platform.

ciao,
  axel.

FP> I have noticed on the VMD manual a partial answer to
FP> my question below. The partial answer is:
FP>
FP> Interactive molecular dynamics simulations VMD can be
FP> used as a graphical front-end to a live molecular
FP> dynamics program running on a remote supercomputer or
FP> high-performance workstation. VMD can interactively
FP> apply and visualize forces in an MD simulation as it
FP> runs.
FP>
FP> Is anyone so kind to direct me where to get
FP> instruction for the connection of VMD to a remote
FP> machine? As I said I already have a reliable ssh
FP> connection for Linux Debian.
FP>
FP> Thanks
FP> francesco pietra
FP>
FP>
FP>
FP>
FP> --- Francesco Pietra <chiendarret_at_yahoo.com> wrote:
FP>
FP> > Date: Tue, 8 May 2007 23:24:48 -0700 (PDT)
FP> > From: Francesco Pietra <chiendarret_at_yahoo.com>
FP> > Subject: vmd first installation
FP> > To: vmd-l_at_ks.uiuc.edu
FP> >
FP> > As a newcomer, interested in vmd for namd, before
FP> > downloading both programs I would like to get a
FP> > piece
FP> > of information that I was unable (my fault) to get
FP> > from the web pages.
FP> >
FP> > I would like to avoid installing vmd on the
FP> > dual-opteron(s) machine where namd code (and other
FP> > codes, in particular a qm code) are run on Debian
FP> > Linux amd64. Such machine has no graphics installed.
FP> >
FP> > I would like to install vmd on a ssh-linked 32-bit
FP> > Debian i386 machine, where X and GNOME are
FP> > installed.
FP> > This is the way I use other graphical interfaces,
FP> > just
FP> > to avoid to slow down the 64-bit machine. That
FP> > means
FP> > that I am able to slogin from either machine to the
FP> > other one (public keys), and to use any standard ssh
FP> > command, although I can't act as server because I
FP> > have
FP> > a dynamic dhcp, and use static dhcp as internally
FP> > provided by the router.
FP> >
FP> > Also, I am just an organic chemist, absolutely not
FP> > an
FP> > expert in informatics.
FP> >
FP> > Thanks for help
FP> >
FP> > francesco pietra
FP> >
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.