AMBER Archive (2003)

Subject: Re: velocities

From: Bill Ross (photoriot_at_yahoo.com)
Date: Mon Mar 10 2003 - 15:14:57 CST

> [is it] possible to extract the velocity of just a
> single atom from the mdvel file along the
trajectory.

If you treat the mdvel file like an mdcrd one in
carnal, using the NOBOX keyword, it should be able to
convert it to a pseudo-trajectory file having just the
atom if you put it in a GROUP in the OUTPUT COORD
section.

Bill Ross