I need your help in creating a script!! Unfortunately, I’m on a deadline and don’t have the time to learn Python, so I’m turning to you guys for help. So here goes…
Generated by trjconv : in water t= 0.00000
1GLY N 1 3.934 2.806 3.086
1GLY H1 2 3.908 2.739 3.155
1GLY H2 3 3.852 2.835 3.037
So: t is obviously time, 362 designates how many molecules there are (I’ve only listed 3, in the first frame), 1GLY is the molecule, 1-3 is the molecule number, and the numbers going from left to right are the X, Y, Z coordinates respectively. What’s supposed to happen is for these molecules to move from one position to the next with each progressing frame/time. Total time in this animation is 1000 picoseconds.
Not sure if this is relevant either, but I’m running on OSX, and the original format is in text, but run in 2 other programs: GROMACS (www.gromacs.org) and VMD.
Anyway, I’d GREATLY appreciate this!!! Let me know if you need anything else. THANKS!!