AMBER Archive (2008)Subject: Re: AMBER: Vaccum Simulations in PMEMD !!
From: Robert Duke (rduke_at_email.unc.edu)
Date: Thu Jun 05 2008 - 09:17:13 CDT
No, sorry, not available. This is one of those things that is not considered
worth doing. When I need a vacuum simulation, I run sander; I don't have my
own hacked up version of pmemd with this in it.
Regards - Bob Duke
----- Original Message -----
From: "Sampath Koppole" <sampathkoppole_at_yahoo.com>
To: <amber_at_scripps.edu>
Sent: Thursday, June 05, 2008 8:53 AM
Subject: AMBER: Vaccum Simulations in PMEMD !!
> Dear Amber-users,
> Is there a way one can do a standard vacuum MD simulation with or without
> cutoff (Equivalent to setting igb = 6 in Sander) using PMEMD version in
> Amber 9.
>
> If not, has this been implemented in PMEMD version included in Amber 10 ?
>
> Thanks for your time and help.
>
> With best regards,
> Sampath.
>
> --
> *****************************************************************
> Dr. Sampath Koppole,
> Horburgstr. 35
> CH 4057 Basel
> Switzerland.
> Ph: +41-76-422-8100
> *****************************************************************
>
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo_at_scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo_at_scripps.edu
|