SUBMIT A NEW PROJECT 1/4



Please, answer carefully to the following questions.
The information provided is going to be used to generate a 'Summary of information' corresponding to an 'index.php' file. This file will summarized the computational conditions of the charge derivation procedure reported...


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General information
Project name
Molecule keyword 1
Molecule keyword 2
Molecule keyword 3
Molecule keyword 4
Molecule keyword 5


An abstract describing the current project



Is the current project already published ?     YES NOT YET
If Yes
Author(s)
Journal
Year Volume Page(s) -
PMID


When submitting data in R.E.DD.B. to be reviewed (see FAQ -5-), always protect your project for 3 months!!!
Do you wish to protect the current project ?
   Period of protection


Do you wish to upload force field related files compatible with the current project ?    
  • Convertion of Tripos mol2 file into AMBER OFF library: File 1
  •     Yes      No
  • Convertion of Tripos mol2 file into CHARMM RTF or PSF file: File 2
  •     Yes      No
  • Missing force field parameters File 3
  •     Yes      No
  • File to provide more information about the project File 4
  •     Yes      No
  • File to provide more information about the project File 5
  •     Yes      No


    I/ Charge derivation procedure

    Was the R.E.D. interface used to generate the data ?
    YES NO

    Number of molecule(s) used in the charge derivation procedure reported ?
        If other  

    Is the current project a "WHOLE MOLECULE" or a "MOLECULE FRAGMENT" type project ?
    WHOLE FRAGMENT

    Number of Tripos mol2 files you wish to upload ?
        If other  


     

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