VMD-L Mailing List

From: Bob Johnson (robertjo_at_physics.upenn.edu)
Date: Mon Oct 30 2006 - 10:02:43 CST

Hello everyone,
A PQR file is basically a PDB file with the atomic charge and radius in the last
two columns. Is there any way to obtain the box information from the PQR file
within VMD? For example, "molinfo top get a" returns 0 even though this box
dimension is defined in the PQR file (using the normal PDB syntax). It seems
like this information is just ignored by VMD. Is there any way to get VMD to
recognize it?
Thanks,
Bob