[AMBER] analyzing DESMOND MD trajectories in cpptraj...

From: Shashidhar Rao <shashidharr.gmail.com>
Date: Thu, 20 Dec 2012 14:01:44 -0500

Dear CPPTRAJ Gurus,

I am attempting to analyze DESMOND MD trajectories in cpptraj. Toward this
end, I used VMD to convert the DESMOND MD trajectories to DCD formatted
files. However, when I tried to read one such file in cpptraj using the
command

trajin a.dcd

I obtained a console message indicating that "Could not get Parameter
file". I was wondering if I need to use VMD to convert the maestro CMS
file to the amber parm file???

any suggestions would be very helpful and appreciated.

Shashi Rao 

-- 
Shashidhar N. Rao
3 SERINA DRIVE
PLAINSBORO
NEW JERSEY 08536 USA
shashidharr.gmail.com
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Received on Thu Dec 20 2012 - 11:30:04 PST
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