Subject: Re: FF parameter database

From: Wolfgang Sauer <[email-masked]>
Date: Fri, 4 Nov 94 9:58:31 MET

Brad Isbister wrote:
> 
> ...
> I've seen rumblings of "Does anyone(else) want to set up a database of
> published AMBER parameters (or references to such)?"  But I don't think
> anyone has taken the plunge and volunteered.
> ...
>

Since I sent the mail he is referring to, let me add a few comments:

Apparently very little has been done in this direction, at least judging from
the answers to my original query.

Yes, I did volunteer, and yes, I am currently in the process of setting up the
suggested database. However, since I am still working on a record structure
that makes sense, it will take some more time till this will go on-line.
Opening will be announced on this list, but if anybody wants to send any
advice, suggestions or entries already, feel free. Nobody can think of 
everything and it will be easier to include ideas at the start than to have
to change a (badly) working system.

Plans at the moment are to support AMBER, GROMOS and COSMIC.

The service should be available on the WWW, but since our (CCC) server will
not go public before December (or even later), it may start mail-based.

So much for now; looking forward to tell you more soon  :-)

		Wolfgang.

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