unwrapping dcd trajectory

From: Mauricio Carrillo Tripp (trippm_at_gmail.com)
Date: Mon Apr 25 2005 - 16:47:42 CDT

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Hi,

I was wondering what should I do to unwrap my dcd trajectory, I tried with
charmm:

merge coor firstu 11 nunit @NF skip 500 output 1 nfile @TF unfold

but I get this kind of output

For the namd simulation I used (it's a tetragonal unit cell, X Y=X Z 90 90
90)
wrapwater on
wrapall on
wrapnearest off

Are there any incompatibilities between both programs?

-- 
Mauricio Carrillo Tripp, PhD
Department of Chemistry
Wabash College
trippm_at_wabash.edu
http://chem.acad.wabash.edu/~trippm

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