Hi everyone,

I have another question about scripting. I decided to use the morph command over a trajectory with 200 frames (imported as separate pdb's) to make a really smooth movie. Currently, my .cxc has

matchmaker #2-200 to #1; morph #1-200 frames 8 same true play false; close #1-200 (< 5 mins)
hbonds #201:UNL restrict :UNL :< 5 reveal true interModel false cacheDa true coordsets true (< 5 mins)
movie record supersample 4; perframe "~label; label hbondatoms" ; coordset #201 1,1593; wait 1593; ~perframe; movie encode output movie.mp4 bitrate 6000 framerate 25 (> 1 hr)

The output is buttery smooth, and the hbond calculation only takes 3-4 mins even with 1600 frames. However, I have a problem with the speed of recording/emcpdomg... it's more than an hour. I found it strange since if I played the trajectory from morph using coordset/slider, it barely takes any time and is very smooth. I was wondering if there was a way to make this recording/encoding faster or to switch from cpu to gpu if that was possible (and if it would help any)?

On another note, I'm experimenting with smooth_md.py script but with trajectory files instead of pdb's. I'll see which one looks better/is faster

Alex Lee
PhD Student
Woods Research Group      
Department of Biochemistry & Molecular Biology
Complex Carbohydrate Research Center
University of Georgia 

315 Riverbend Rd.
Athens, GA  30602
Email: ahl63010@uga.edu
Mobile: (470) 641-3884