From: Anirban Ghosh (anirbang_at_cdac.in)
Date: Fri Sep 19 2008 - 08:12:34 CDT
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.
-- Anirban Ghosh Grade Based Engineer Bioinformatics Team Scientific & Engineering Computing Group Centre for Development of Advanced Computing Pune, India
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:49:51 CST