COORDINATE DCD FILE WAS NOT CREATED

From: Mihaela Drenscko (quo.physics_at_gmail.com)
Date: Thu Sep 15 2016 - 15:42:20 CDT

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Hi,

I am running a lengthy simulation in metadynamics with colvars, that
requires restart files (due to time restrictions). I obtained the output of
the first restart file, but for the second, which is supposed to be a
continuation of the first, no dcd file was created. I checked the
configuration files for the first and second restart - they are the same,
except for numsteps, firsttimestep and the names of input and output files.
What could cause such a problem and how to fix it?

Thank you,
Mihaela Drenscko

• Next message: Jodi Ann Hadden: "Hands-On Workshop on Computational Biophysics: October 17-21 in Urbana, IL"
• Previous message: Norman Geist: "AW: NAMD2.11 DCD HEADER PROBLEM"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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