[gmx-users] velocities

Prasad Gajula prasad.gajula at uni-osnabrueck.de
Mon Sep 18 23:48:19 CEST 2006

Dear Gromacs Users,

I am getting different results for simulations with " gen_vel=yes"  and
"gen_vel= no".

I have generated velocities only for PR MD at 300K. after that I set '
gen_vel= no ' in mdp file.  After the position restrained MD , I slowly
increased the temparature from 80K , 100K , 200K and last 300K. (with
'gen_vel=no' for all MD)
Is it correct? Because I read both 'yes' and 'no' as possibilites in some
references. Iam bit confused which to use for exact simulations.

Any help will be appreciated.
Thanks in advance
Best regards

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