AMBER Archive (2006)

Subject: AMBER: from traj to crd

From: Fabián Alejandro Rodríguez (far217_at_nyu.edu)
Date: Mon Jul 31 2006 - 19:58:19 CDT

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.

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