[gmx-users] gromacs -> amber trajectory conversion - resolution

[Daniel Rigden]

Dear all

Previously I (and others) have posted with issues regarding the
conversion of gromacs trajectories (nm) to amber format (Angstrom).  You
can get g87 files form trjconv which are the same format as amber but in
the wrong units.  

It turns out there is a simple way to do these conversions - use catDCD

 http://www.ks.uiuc.edu/Development/MDTools/catdcd/

also now integrated into VMD.  The amber formats are crd crdbox (without
and with box, respectively)

Thanks to John Stone at VMD for this.

Daniel

-- 
Dr Daniel John Rigden                     Tel:(+44) 151 795 4467
School of Biological Sciences             FAX:(+44) 151 795 4406
Room 101, Biosciences Building
University of Liverpool
Crown St.,
Liverpool L69 7ZB, U.K.