q4md-forcefieldtools.org



R.E.D. Server Dev. was attacked by a user:
The problem is now solved.

However a power outage will occur on August 1st, 2024.
Thus the submission and registration procedures will be re-opened by August 3...

We ask you to apologize us for all these troubles ;-(

Contact us if you are in a big hurry to get results...

GNU GPL 3.0
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  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
 
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email
 
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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.