q4md-forcefieldtools.org



Registration is NOW temporarily closed until end of August 2021:
Indeed, the user database is FULL (999 users).
Already registered users can continue to use the services
provided at q4md-forcefieldtools until middle of August 2021.
Beginning of September 2021, the user database will be reinitialized, and consequently
all users will have to re-register to access again to the q4md-forcefieldtools services.

GNU GPL 3.0
-->   News   <--
 
  Chemistry Nobel Prizes
  q4md-fft Tools
  R.E.D. Server
  R.E.D. Server Dev
  AmberTools 19
  GAMESS Sept 2018 R3
  Firefly 8.2.0
  Gaussian 16 B.01
 
-->   Contact us   <--
 
email
 
-->   Why us?   <--
 
atomic charges, atom types, force field libraries, force field parameters, force field tools

QM-MM-MD, Q-4-MD
 
-->   Our projects   <--
 
The R.E.D. tools

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

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 Dev.

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.

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.2t

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

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


FFParmDev

FFParmDev allows developing new force field parameters.

 

Last update of the q4md-forcefieldtools home page: June 24th, 2019.

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* 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