VMD-L Mailing List

From: Peng Tao (ptao_at_chemistry.ohio-state.edu)
Date: Wed Sep 10 2003 - 14:15:43 CDT

Dear VMD users,

After 2ns simulation (nstlim=2,000,000, ntwx=200, so there should be 10,000 frames in the traj file ), the file size is about 2GB. It's so large that I couldn't read it in for one time. So I tried to use VMD to read in 1000 frames each time and analyze the results, that is, read 0-999 frames, deleted them, then read 1000-1999 frames, etc..

But for 2000-2999 frames VMD stopped at 684. After deleting the read frames (2000-2684), I tried to read 2685-2999 frames, but got nothing.

Then I tried to read one frame from every 10 frames, that is, for Frames: First=0, Last=-1, Stride=10. After long time waiting, I only got 269 frames. It seems to me that VMD only can access the frist 2685 frames of this large traj file.

Is there any way to access other frames? Or can I cud the large traj file into parts, therefore I can access the frames those are near to the end?

Thank you very much.

Have a nice day and happy Moon Festival.

Yours Sincerely,
Peng Tao

Chemistry Department
The Ohio State University