q4md-forcefieldtools.org


GNU GPL 3.0
-->  News  <--
 
  Nobel Prize in Chemistry 2013
  R.E.D.
  R.E.D. Server
  R.E.D. Server Dev
  Amber 14
  GAMESS Dec 5, 2014 R1
  Firefly 8.1.1
  Gaussian 09 D01
 
-->  Contact us  <--
 
email
 
-->  Why Us?  <--
 
q4md-forcefieldtools an Internet site devoted to the development of empirical force fields such as AMBER, CHARMM, GLYCAM and OPLS. It combines resources (programs, database and tutorials) useful in atomic charge derivation, force field library building and force field parameter development.
q4md-forcefieldtools stands for tools related to atomic charge values, force field libraries and force field parameters required in 'QM-MM-MD' simulations. q4md also stands for 'Charge for MD simulations'.
 
-->  Our Projects  <--
 
R.E.D.

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.S.

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.


R.E.DD.B.

R.E.DD.B. is a database of RESP and ESP charges and force field libraries 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 submission has to be carried out in R.E.DD.B.


AmberFFC

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


FFParmDev

FFParmDev allows developing new force field parameters.

 

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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. Brazier,  N°CNIL: 1316263