hello,
I ran MD and I have a snapshot of the trajectory that I want to take out
and minimise energy.
I can extract the coordinates, but probably in the wrong format to be
read by sander. I did
trajin ../iBdnaVac300KequilEnd200psC0.traj 15 15
trajout bestC0.crd
and this crd file is different from the inpcrd that I had for the fist
time from tleap.
the question is: How do I extract the coordinates from the trajectory in
the right format to then minimise energy?
thank you,
fabian.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Aug 02 2006 - 06:07:08 PDT
