VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Jul 30 2008 - 14:31:55 CDT

On Wed, 30 Jul 2008, Rudra Banerjee wrote:

RB> with the risk of being advised to "RTFM", may i request you to let

you'll only get an "RTFVM". :)

RB> me know, how to plot g(r) of NAMD output using VMD?

RB> actually, what is expected in selection1 and selection 2?

those are atom selections. the syntax is the same as for
representations. details are in the VMD manual (see above).

RB> i loaded the psf and dcd file, but failed to find the correct input for selections.

well, it is _very_ difficult to give somebody a specific
help if the only information is "it didn't work". as this
tempts people to answer... "it works for me". ;)

the best way to not being RTFMed (or worse) is to follow
guidelines like presented in:
http://www.catb.org/~esr/faqs/smart-questions.html

RB> also, i ll be happy, if anybody tell me how to retrive g(r) from NAMD outout.

so _what_ g(r) do you want to compute? and what did you try?

cheers,
   axel.

RB>
RB>
RB> 

-- 
=======================================================================
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.