AMBER Archive (2008)

Subject: Re: AMBER: About RAMD

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Sat Jan 05 2008 - 10:46:32 CST

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_at_yahoo.com> wrote:

> RAMD = Random Acceleration Molecular Dynamics
> http://projects.villa-bosch.de/mcm/software/amber
> Cheers
> francesco
>
> --- Carlos Simmerling <carlos.simmerling_at_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_at_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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