From: Moumita Maiti (m.moumita_at_gmail.com)
Date: Sun Jun 10 2007 - 14:45:49 CDT
I am using steered molecular dynamics where I am pulling the
molecule with a constant velocity say
v A^0/timestep, where timestep is the md dt which has standard value 2fs.
But I want this timestep to
vary in a way that the pulling will be permorfed after a timestep say set
to 100ps and system will try to go
equilibrium after previous pull in this 100 ps. Specifically I want to give
some time system to relax.
Please give me some hints so that I can do above experiment. I can change
the velocity value according to that
but I do not want this as system always goes through a constant small
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