Re: [AMBER] how to load atom type for divalent ions in leaprc.ff10?

From: Victor Ma <victordsmagift.gmail.com>
Date: Tue, 1 Nov 2011 13:09:51 -0500

Plan A worked fine. Thanks a lot, Dr. Case.

Victor

On Tue, Nov 1, 2011 at 10:51 AM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Tue, Nov 01, 2011, Victor Ma wrote:
> >
> > I'm running AMBER on a cluster and I have no authority to change the
> > $AMBERHOME/dat/leap/lib files. So is there an easy way to do it locally?
>
> Copy everything in $AMBERHOME/dat/leap to some local directory you have
> control over. Then, when you load ions8.lib, point specifically to the
> local
> copy you have changed.
>
> Or: copy everything under $AMBERHOME to your local directory, set your
> AMBERHOME variable to point to the new location, and recompile all the
> programs. This has the advantage that Amber is now under *your* control,
> but
> you may have a learning curve as well.
>
> ....dac
>
>
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Received on Tue Nov 01 2011 - 11:30:03 PDT
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