[gmx-users] Velocity generation
joojoojooon at gmail.com
Thu Jul 21 17:06:54 CEST 2011
Dear gmx users,
I have two short questions about generation of initial velocities in
simulations. If I want to run simulations at for example 400 K do I have to
alter the temperature for maxwell distribution settings? ( I mean
gen_temp = 400? )
gen_vel = yes
gen_temp = 300.0 > 400 ?
gen_seed = 173529
- Also If I want to do simulated annealing for the target T= 400 K, should I
anneal to higher T than 400, say 500K and cool down to 400 or SA is only
applicable at lower target temperatures like 300K ?
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