Unit cell coordinates and radial distribution functions

From: Ben Roberts (Ben.P.Roberts_at_vcp.monash.edu.au)
Date: Mon Jul 19 2004 - 21:12:38 CDT

Hi All,

I have the results from a simulation as a CHARMm format DCD file, that is,
containing Unit Cell information at each stage.

Is it possible to use anything in NAMD or VMD to either:

A) Obtain a radial distribution function, or

B) At least produce unit cell dimensions from the DCD so I can put them in
a PDB file and deal with them there?

Any advice would be appreciated.

Thanks in advance and best regards,

Ben

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Benjamin P. Roberts, B.Sc.(Hons)
Ph.D. Student

Department of Medicinal Chemistry
Victorian College of Pharmacy (Monash University)
381 Royal Parade, Parkville VIC 3052, Australia

Phone +61 3 9903 9674 | Fax +61 3 9903 9582 | Mobile +61 401 784 940
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