RE: [AMBER] A good way to use an Amber force field with NAMD?

From: Ross Walker <>
Date: Tue, 3 Mar 2009 17:33:58 -0800

> to answer your question about the requirement: we are trying to get some
> supercomputer time, and they only have NAMD installed. In any event,
> it's not our choice.

Just a quick question. Why not just install AMBER yourself. It builds on
every supercomputer I have ever used without issues. You can install it in
your home directory as well.

To be honest even if I planned to use NAMD I'd do this. It can be pretty
brave to use the supercomputer center installed version unless you
implicitly trust the person who installed it.

If you let me know what machine it is I can probably install AMBER for you
(or give you a suitable config file to use).

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
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Received on Wed Mar 04 2009 - 01:27:37 PST
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