Re: velocities from a DCD file

From: francesco oteri (
Date: Wed Jan 27 2010 - 08:37:28 CST

Before writing a restart, usually NAMD saves the actual restart with the
.old extension and then it saves the last configuration,velocity and
extended system. The only problem is about the restart frequence: if is much
smaller the the dcdfrq the avalaible .old files will be too old.
Tou can use .old, but you will lose the trajectpty beetween the time of
these restart and the crash moment

2010/1/27 Raul Araya <>

> Dear NAMD users:
> I was trying to restart an old simulation but due to some storage
> problems at mi facility I lost the .vel and the .xsc restart files. I
> want to know if there is some way to obtain the velocities at the last
> frame and the periodic cell dimensions from the DCD trajectory file?
> Thanks...
> Raúl Araya Secchi
> B.Sc Molecular Biotechnology.
> Molecular Biotechnology Engineer.
> Centre for Bioinformatics CBUC,
> Faculty of Biological Sciences, P. Universidad Catolica de Chile
> Portugal # 49 – ZIP 6513492 Santiago – Chile Phone: + 56 2 6862269;

Cordiali saluti, Dr.Oteri Francesco

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