VMD-L Mailing List

From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Fri Jan 27 2017 - 04:28:30 CST

Dear VMD users,

I noticed that VMD cannot properly read the rst7 created by CPPTRAJ. The
reason for this appears to be the formatting of the second line (see
below). The number "0.0000000E+00" represents the time in "ps". Removing
it makes the file readable by VMD with the rst7 file format.

*** first 2 lines of rst7 file created by CPPTRAJ ***
Cpptraj Generated Restart
226253 0.0000000E+00

It could be nice if the plugin could be modified to read these files
correctly.

Best wishes
Vlad 

-- 
Vlad Cojocaru, Ph.D., Project Group Leader
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