q4md-forcefieldtools.org



On November 23, 2024, R.E.D.Server Dev. was attacked once again by a user!
Fortunately, the security script successfully blocked the attack.
To enhance server security, archive files are now either modified or removed if found uncorrect...

The 'q4md-fft' cluster will be moved to a new room in June 2025:
• On June 10, job submission procedures will be closed.
• On June 11, running jobs will be terminated without prior notice.
• On June 12, the cluster will be turned off to give users time to download their job data.
We aim to reopen REDServer Dev. by June 25...

GNU GPL 3.0
-->   News   <--
 
  Chemistry Nobel Prizes
  q4md-fft Tools
  R.E.D. Server
  R.E.D. Server Dev
  AmberTools 21
  GAMESS June 2021 R1
  Firefly 8.2.0
  Gaussian 16 C.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: July 15th, 2023.

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* 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