VMD-L Mailing List

From: dhacademic (dhacademic_at_gmail.com)
Date: Thu Jan 13 2011 - 09:45:16 CST

Hi VMD user,

I meet the problem in extracting the number of frames from amber trajectory.

Following is my script "myframe.tcl". When I run "vmd -e myframe.tcl", the calculated frame number is 8. But when I use the first two lines of the script to load the trajectory, and then type in the last four lines in TCL Console, the frame number is 1000. In reality, 1000 is the correct number.

I want to know is there anything wrong?

Best,
Hao

mol new out.top type parm7
mol addfile out.mdcrd type crdbox

proc myframe {{mol top}} {
        set num_steps [molinfo $mol get numframes]
}
myframe

2011-01-13

dhacademic