AMBER Archive (2007)

Subject: Re: AMBER: restraints during MD

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Fri Mar 02 2007 - 10:27:50 CST

yes, no problem. just give the termination for the weight change section
and specify your RST file.

On 3/2/07, Seth Lilavivat <sethl_at_gatech.edu> wrote:
>
> Is it possible to specify restraints (like Watson-Crick) during regular
> explicitly solvated MD without having to give an annealling schedule? In
> other
> words, running MD in solvent as usual but with WC restraints.
>
> Thanks,
> Seth
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu