[gmx-users] query about random velocity generation
tsjerkw at gmail.com
Fri Jan 30 12:44:59 CET 2009
Different temperatures always come with different velocities, as these
are related to each other. If you want to have different simulations
for the same temperature then you have to change the number for
gen_seed. As for the range, you're stuck with that for a signed (?)
int, but that's quite a range.
On 1/30/09, sangeeta kundu <sangeeta0983 at yahoo.co.in> wrote:
> Dear Sir,
> I want to simulate the same system at different temperatures using different
> velocities & want to investigate whether the simulations converged or not..
> For that should we alter the default gen_seed value, if yes, then can we
> choose the gen_seed value arbitrary or is there any range of that ?? Thanks
> in advance.
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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