VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Jun 28 2007 - 16:14:49 CDT

On Thu, 28 Jun 2007, Francesco Pietra wrote:

FP> If the question is pertinent:
FP>
FP> I would like to run amber9 on a parallel machine mainly arranged for QM
FP> computations, thus no X available, thus no graphical xleap installable for
FP> drawing.
FP>
FP> Is it conceivable to use VMD, that I have installed on 32bit single cpu
FP> opengl/machine (from where I am writing) to substitute the functions of xleap
FP> (and may be more)?
FP>
FP> Furthermore, the two machines at issue are ssh connected. I can scp from one to
FP> another, or sending graphics from the 64bit to the 32bit.

francesco,

why don't you use xleap through ssh tunneling (ssh -X)
or compile it on you local machine (the educational amber
license is usually a site-license, IIRC).

the xleap equivalent functionality in VMD is
almost exclusively geared towards generation of
NAMD compatible topologies and parameter files.

cheers,
   axel.

FP>
FP> Thanks
FP>
FP> francesco pietra
FP>
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.