[AMBER] xtc to mdcrd box coords

From: Federica Chiappori <federica.chiappori.itb.cnr.it>
Date: Wed, 16 Jan 2013 15:04:02 +0100

Dear all,
I'm trying to convert a gromacs trajectory (xtc) in an amber trajectory
(mdcrd) to apply the MMPBSA tool, I obtain the mdcrd with vmd, wile
MMPBSA.py returns:
"error in box coord line of trajectory
     expected only 3 or 6 box coords"

Box of the gromacs trajectory is a dodecahedron, so I have 9 box coords,
can vmd write the correct box coords?
How can I convert the box coords for amber?

Thanks,
Best regards.
Federica 

-- 
_____________________________________________________________
Federica Chiappori, Ph.D.
Istituto di Tecnologie Biomediche - CNR
Via F.lli Cervi, 93
20090 Segrate (MI)
Phone: +39 02 26422606
E-mail: federica.chiappori.itb.cnr.it
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Received on Wed Jan 16 2013 - 06:30:02 PST
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