AMBER Archive (2009)

Subject: RE: [AMBER] Velocity rescaling and ig...

From: Cihan Aydin (cihan.aydin_at_umassmed.edu)
Date: Sun Jun 28 2009 - 11:22:29 CDT


Thanks for helping out on a miserable (New England...) Sunday

On Sun, 2009-06-28 at 09:18 -0700, Ross Walker wrote:
> > Hmm its a wonder how I missed these...
> >
> > My restarting parameters are irest=1 and ntx=5
> >
> > So if I understand correctly, with this combination velocities are read
> > from the restart, not re-evaluated. So no worries, right?
>
> Yes that is correct. Thus there should be no dependence of your results on
> the value of ig.
>
> Good luck,
> Ross
>
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
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-- 
Cihan Aydin
UMass Graduate School of Biomedical Sciences
PhD Student @ Schiffer Lab

364 Plantation St. LRB 970M Worcester, MA 01605

cihan.aydin_at_umassmed.edu +1 (508) 856-3430

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