From: Francesco Pietra (
Date: Mon Aug 10 2015 - 12:25:43 CDT


For a new molecule, selected entirely for molefacture in vmd 1.9.2, I set
atom types and charges, derived from CGenFF, to only some atoms, intending
to resume molefacture later to bring it to completion (and submit to
ffTK). The partial work was saved as .xbgf file, which is confusing me as
the changes were not saved. Apparently, I have misinterpreted how to carry
out that.

thanks for advice

francesco pietra