Re: [PyMOL] problem with amber trajectory

2005-11-21 Thread Dmitry Kondrashov
Sorry Viktor and Warren, but I don't think your suggestions are applicable. I have only a single protein molecule in my trajectory, which I kept centered at the origin, so it never traverses the periodic boundary. I did strip all but 20 waters from it using ptraj and created the appropriate

Re: [PyMOL] problem with amber trajectory]

2005-11-20 Thread Viktor Hornak
Dmitry, is your system a single molecule or is it composed of multiple molecules (e.g. dimer)? Amber should not 'cut' your molecule into pieces, imaging can only separate molecules in a dimer, trimer or such. Also, was your system solvated? Did you strip water before visualizing in PyMOL? The

RE: [PyMOL] problem with amber trajectory

2005-11-19 Thread Warren DeLano
...@delsci.com > -Original Message- > From: pymol-users-ad...@lists.sourceforge.net > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > Dmitry Kondrashov > Sent: Saturday, November 19, 2005 9:57 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMO

[PyMOL] problem with amber trajectory

2005-11-19 Thread Dmitry Kondrashov
Hi, I have a prloblem with viewing AMBER trajectory files, specifically, the topology appears messed up. When I load the trajectory into the topology object, the structure shows up dismembered into eight pieces on the vertices of a cude. I should note that I can load an AMBER coordinate f