[gmx-users] ld_seed functioning?
spoel at xray.bmc.uu.se
Wed Feb 23 11:36:33 CET 2005
On Wed, 2005-02-23 at 10:08 +0100, Björn Windshügel wrote:
> Hi all,
> maybe it has been already discussed:
> I tried to perform MD simulation for a system with different values for the
> seeds (ld_seed or gen_seed). Even with different values I get exactly the
> same results (e.g. rms). When using gromacs 3.1.4 different ld_seeds resulted
> in absolutely different rms values. Is there another way to get this using
ld_seed only influences langevin dynamics
gen_seed only works when you have gen_vel turned on.
Are you saying that you get the same velocities with different seeds?
> Best regards,
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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