Well, Rebecca Wade does have a patch for 8, and it is on OUR web page (amber.scripps.edu; do a find on wade); maybe that's not quite standard amber, but it is some level of endorsement I would think... ;-)
Regards - Bob Duke
----- Original Message -----
From: Carlos Simmerling
To: amber.scripps.edu
Sent: Saturday, January 05, 2008 11:46 AM
Subject: Re: AMBER: About RAMD
I don't think that method ever made it to standard Amber.
you will need to ask the author for the code, although I am
not sure if she is allowed to distribute it or not.
you can certainly install more than one version of Amber
on the same machine. just check your path settings when
you try to run a simulation.
On Jan 5, 2008 11:26 AM, Francesco Pietra <chiendarret.yahoo.com > wrote:
RAMD = Random Acceleration Molecular Dynamics
http://projects.villa-bosch.de/mcm/software/amber
Cheers
francesco
--- Carlos Simmerling <carlos.simmerling.gmail.com > wrote:
> what is RAMD? do you mean REMD? if so, that is available
> in Amber9.
>
>
> On Jan 5, 2008 5:39 AM, Francesco Pietra <chiendarret.yahoo.com > wrote:
>
> > I was just informed from Professor Wade that RAMD at the moment can only
> > be
> > implemented into Amber 8.
> >
> > As I am most curious to try to follow the path of a ligand out of a
> > protein
> > embedded in a membrane, is it possible to get Amber 8 (having a personal
> > license for Amber 9) and temporarily, for that computation, install it on
> > the
> > same machine (dual opterons, shared memory) without unistalling Amber 9?
> > Amber
> > 9 was ifort/icc compiled, parallel support from OpenMPI 1.2.3.
> >
> > Thanks
> >
> > francesco pietra
> >
> >
> >
> >
>
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>
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Received on Sun Jan 06 2008 - 06:07:07 PST
