[gmx-users] Velocity generation

Juliette N. 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 ?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110721/d4f7a72b/attachment.html>

More information about the gromacs.org_gmx-users mailing list