AMBER Archive (2002)

Subject: Imaging & fitting in carnal

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Thu Oct 17 2002 - 06:01:55 CDT

Hello,
        I am using amber7. I need to image the solute so that it sits in
the center of the box and fit it to a reference structure. I tried ptraj
and it was not superposing correctly but not imaging water properly. (I
used the example of ptraj itself, and its mutants, given in manual).

        With carnal I could do imaging and superposing seperately, but
could not club them together. I am just interested to know *if* it can be
done using carnal. Thanks very much for any info in advance.

-Sanjeev