Few doubt on the numbers implying in REMD simulation

From: Nicholus Bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Tue Apr 05 2016 - 10:00:50 CDT

Hello all,

I am using following values for my REMD calculations.

###############################################################################

%.conf file

set num_replicas 42
set min_temp 300
set max_temp 600
set steps_per_run 1000
set num_runs 50000
# num_runs should be divisible by runs_per_frame * frames_per_restart
set runs_per_frame 1
set frames_per_restart 10

%.namd file

timestep 1.0

amber yes
parmfile octa.top
coordinates octa.pdb

margin 10.0
stepspercycle 100
exclude scaled1-4
1-4scaling 0.4
switching on
switchdist 7.0
cutoff 8.0
pairlistdist 10.0

langevin on
langevinDamping 10.0

###############################################################################

I suppose it will provide me 50 ns trajectory for each replica.

I just wanted to know how many exchange attempt will this simulation do and
how much Hamiltonian dynamics between exchange attempts. Are they 50 and
1000 ps respectively?

Thanks for the reply.

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