Re: [PyMOL] GROMACS trajectories (Timofey Tyugashev)

2015-10-26 Thread Timofey Tyugashev
Thank you for reply. xtc trajectories do work. Maybe the first time the problem occurred because I was using PyMOL installed from Linux Mint repository. Now I use SVN one. --

Re: [PyMOL] GROMACS trajectories

2015-10-07 Thread Fotis Baltoumas
The safest way to do that would be to convert your trajectory to a format readably by PyMOL, with trajectory manipulation tools such as trjconv (in GROMACS) or catdcd (you can find it in the VMD website). PyMOL recognizes the AMBER .trj format with the "Load_traj" function, so you can use that:

Re: [PyMOL] GROMACS trajectories

2015-10-07 Thread Thomas Holder
Hi Timofey, This wiki page is obsolete, current PyMOL includes a recent version of the VMD plugins, and it can load xtc files (and probably trr too, but I don't have a test file around). You need to load topology and trajectory in two steps, into the same object. Example: load topology.gro,

Re: [PyMOL] pymol + gromacs trajectories

2004-10-12 Thread Tsjerk Wassenaar
Hi Yunfeng Hu, Frankly, with Pymol, people don't as far as I know. What I usually do is determine for the first frame of the individual pdb files (obtained with trjconv -sep) the orientation, viewing point and appearance. This I save in a .pml script. Then with a bit of python code, looping