AMBER Archive (2009)

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

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Sun Jun 28 2009 - 11:18:08 CDT


> 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 |

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber