VMD-L Mailing List
From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Sat Feb 21 2015 - 03:59:33 CST
I would like to take a trajectory, calculate the coordinates of some
centers of mass in each frame and add these as dummy atoms into new PSF
and DCD files. These new files would then contain both the original
atoms and the new dummy atoms.
I looked into doing this with VMD but did not find a solution yet. Can
anyone give me an advice on whether this is possible whatsoever ?
-- Dr. Vlad Cojocaru Computational Structural Biology Laboratory Department of Cell and Developmental Biology Max Planck Institute for Molecular Biomedicine Röntgenstrasse 20, 48149 Münster, Germany Tel: +49-251-70365-324; Fax: +49-251-70365-399 Email: vlad.cojocaru[at]mpi-muenster.mpg.de http://www.mpi-muenster.mpg.de/43241/cojocaru