From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Aug 01 2012 - 10:53:56 CDT
No, the length of the file names shouldn't be an issue.
Yes, re-running the last 1 ns to make sure seems to be the best option.
On Wed, Aug 1, 2012 at 11:47 AM, Branko <bdrakuli_at_chem.bg.ac.rs> wrote:
> Giacomo,
>
> Previous job that ended normally write the files <outputName>.coor ,
> <outputName>.xsc, and <outputName>.vel. All output (and restart files) has
> a same name, providing that restart files have '.restart.' added to the
> name. Also one 'old' copy was generated for the files associated with the
> basic simulation, and have a name <outputName>.restart.vel.old, for example.
> From the configuration file:
>
> # Output files
> binaryoutput yes
> outputname 24diiPr-dmso-sech-md3
> restartfreq 1000
> restartsave no
> binaryrestart yes
> DCDfile 24diiPr-dmso-sech-md3.dcd
> DCDfreq 3000
> DCDUnitCell no
> outputEnergies 1000
> mergeCrossterms yes
> outputMomenta 0
> outputPressure 0
> outputTiming 10000
> .
> .
> .
> # Other parameters
> colvars on
> colvarsConfig 24diiPrcolvsec
>
>
> From the simulation output:
>
> colvars: Initializing the collective variables module, version 2012-03-23--f46d042ef46542ffa104c6364fd0--
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