Hi,
On Tue, Feb 14, 2012 at 9:54 AM, Giachetti Andrea - CERM
<giachetti.cerm.unifi.it> wrote:
> Hi all, I'm trying to extract coordinates from amber trj trajectory
> file, but there are some steps with discontinuities (jumps). Could it be
> related to periodic boundary conditions ?
What exactly do you mean by discontinuities? Are they in something you
are calculating (i.e. distance, RMSD, etc) or in the physical
coordinates of the molecule (or both?). It would probably be useful to
know something about the original trajectory (does it have solvent,
PBC, etc).
-Dan
--
-------------------------
Daniel R. Roe, PhD
Postdoctoral Associate
BioMaPS Institute, Rutgers University
610 Taylor Road
Piscataway, NJ 08854
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Received on Tue Feb 14 2012 - 07:30:02 PST
