multiple timestep and dcdfreq

From: Luca Muccioli (luca_at_ms.fci.unibo.it)
Date: Thu Mar 08 2007 - 07:27:32 CST

dear NAMD users,

  I am a newbie of NAMD and my concept of timestep, in a multiple time
step integration scheme, corresponds to the longest integration step.
What does instead NAMD manual mean with "timestep"? The shortest one, set
with "timestep" in the configuration file?
And does the dcd file contain any information about the timestep value or
the "real" time at which each configuration is stored?

thanks

Luca

-------------------------------------------

Luca Muccioli, Ph. D.
Dipartimento di Chimica Fisica e Inorganica
Universita` di Bologna
Via Risorgimento 4
40136 Bologna (Italia)

E-mail: luca_at_fci.unibo.it
Phone: +39-051-6446992
Fax: +39-051-2093690
Web: http://www2.fci.unibo.it/~luca/

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