AMBER Archive (2006)

Subject: Re: AMBER: Ethanol

From: FyD (fyd_at_u-picardie.fr)
Date: Wed Nov 22 2006 - 06:22:28 CST

Quoting Rita Cassia <Rita.Cassia_at_gmx.de>:

> I'd read the email that you had mentioned and i'll try to do it.

I've just updated (using the 'Update projects' R.E.DD.B. tool) the
R.E.DD.B. W-46, W-47, W-48 & W-49 projects and provided the LEaP
script allowing the convertion of the Tripos mol2 files [force field
(FF) library precursors] into LEaP FF OFF libraries. You should now
see for these 4 projects the date of update: [Updated the: 22-11-2006
13:02 (Day-Month-Year, Paris time)]

See for instance http://www.u-picardie.fr/labo/lbpd/REDDB/up/W-46/ &
http://www.u-picardie.fr/labo/lbpd/REDDB/up/W-46/script1.ff

The project only related to Ethanol are W-5 up to W-9.

regards, Francois

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