Restarting a Simulation & Langevin

From: Anirban Ghosh (anirbang_at_cdac.in)
Date: Fri Sep 19 2008 - 08:12:34 CDT

Hi All,

I want to restart a simulation in NAMD with appropriate restart files.
Since I am specifying a restart.vel file, so I am not mentioning the
temperature. I am also not giving the Periodic Boundary Condition, as I am
also specifying the restart.xsc file. Am I required to give the Langevin
parameters and Particle Mesh Ewald condition for restarting the
simulation? Any suggestion is welcome.

I posted the same query in the VMD list by mistake.

Regards,

-- 
Anirban Ghosh
Grade Based Engineer
Bioinformatics Team
Scientific & Engineering Computing Group
Centre for Development of Advanced Computing
Pune, India

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