VMD-L Mailing List
From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Fri Jan 27 2017 - 04:28:30 CST
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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
- Next message: Alexander Balaeff: "Re: Running out of memory due to multiple mol addfile's (?)"
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- Reply: John Stone: "Re: reading rst7 files generated by cpptraj"
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