[gmx-users] gromacs -> amber trajectory conversion - resolution
drigden at liverpool.ac.uk
Wed Apr 25 17:28:53 CEST 2007
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
also now integrated into VMD. The amber formats are crd crdbox (without
and with box, respectively)
Thanks to John Stone at VMD for this.
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
Liverpool L69 7ZB, U.K.
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