Hi everyone,<br>
I earlier posted an email about velacc function.<br>
I have obtained velocities every 100ps, while I extracted co-ordinates
every 1ps. Now after running the simulation, I feel that I need
velocities every pico second instead of 100ps. As a basic thing, Since
I extracted co-ordinates every 1ps, I can still get velocities at every
pico second too.(dr/dt = v).....<br>
I tried by creating a new run input file, and I tried to use this new
run input file (with changed mdp options to get velocities every pico
second) with the old trajectory file in the g_velacc function. Still
the program seems to think that velocities were extracted every 100
ps(ignoring the new run input file)..<br>
Any way to circumvent this problem or I have to re-run the simulation again......<br>
Thanks,<br>
Viswam.<br clear="all"><br>-- <br>Viswanadham Sridhara,<br>Graduate Research Assistant,<br>Old Dominion University, "VIRGINIA".<br>