Thank you very much for your reply.
I have another one question:
I want to calcuate the distance between the specified atom to
the center of the mass of the molecue, Ptraj of Amber 8 can do that? I found Carnal can do it, I am just wondering whether Ptraj (Amber8) can do it. I checked it, it seems not. Is it right? If yes, know how to do it with Ptraj (Amber8).
Thanks for your help!
Bests,
Thomas Cheatham III <tec3.utah.edu> wrote:
> Sorry, could you please tell me some details for the download of Praj? I
> tried to find it on the website, but I didn't.
There is a link on the AMBER WWW page that points to my out-dated (2003)
ptraj version (www.chpc.utah.edu/~cheatham/software.html). However, that
version is not up-to-date with AMBER 9.0 and does not implement the radius
of gyration. Soon I'll update my WWW page and the AMBER page to release a
stand-alone version that has the full capabilities of ptraj in AMBER 9.0;
until then, your only choice for radius of gyration is working through
carnal, AMBER 9.0, or by cribbing some code/program off the net...
-- tec3 . utah.edu
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Esther B.
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Received on Wed Jan 31 2007 - 06:07:26 PST
