q4md-forcefieldtools.org: Q for MD - QM_MM_MD

The user database is FULL (999 users):
User registration was temporarily closed the: Thu-Jun-1 2023 (Paris Time)

R.E.D.Server Dev./PyRED users have 20 days to save their data from their private accounts.

The user database will be reinitialized the: Thu-Jun-22 2023 (Paris Time)
All users will have to re-register after this date to get again access to the q4md-forcefieldtools services.

News

Why us?

atomic charges, atom types, force field libraries, force field parameters, force field tools

Our projects <--

The R.E.D. tools allow RESP and ESP charge derivation, and force field library building for new molecules and molecular fragments.

R.E.D. Server is an Internet service designed to derive RESP and ESP charges and to build force field libraries for new molecules and molecular fragments. Nowadays it is retired.

R.E.D. Server Development is an Internet service aimed at generating q4md-fft force fields, as a suite of force field libraries and force field parameters. It interfaces the PyRED program.

R.E.DD.B. is a database of RESP and ESP atomic charges, force field libraries and force field parameters for small molecules and molecular fragments.

R.E.DD.B. Bis & test allows performing blind tests, and learning how a project has to be submitted in R.E.DD.B.

AmberFFC is a program to convert AMBER and GLYCAM force fields for use with commercial molecular modeling packages.

FFParmDev allows developing new force field parameters.

Last update of the q4md-forcefieldtools home page: August 15th, 2021.

* This website is managed and hosted by the Université de Picardie - Jules Verne, Chemin du Thil, 80025 Amiens Cedex 1. Phone: +33-(0)3-2282-7264.
N°Siret: 19 8013443 00017, President: M. Benlahsen, N°CNIL: 1316263

* Ce site est geré et hébergé par l’Université de Picardie - Jules Verne, Chemin du Thil, 80025 Amiens Cedex 1. Telephone: +33-(0)3-2282-7264.
N°Siret: 19 8013443 00017, Président: M. Benlahsen, N°CNIL: 1316263