PROJECT P14815

HTML INTERFACE GENERATED BY R.E.D. SERVER DEVELOPMENT

Date: 07/14/2014 (m/d/y) - Time: 20:35:44 CEST

This web page and the corresponding data are only conserved 5 days on the R.E.D. Server Development hard drives!


    Data are available in the 'Data-R.E.D.Server ' directory...

    Display the 'PyRED log ' file...

    Display the uploaded 'System.config ' file...

    Display the uploaded 'ArchiveFile ' file...

    Number of PDB input file(s) involved in the PyRED job:   1

    PyRED input file(s)

No	PDB input file(s)	Download	3D visualization	QM File(s)	Download
1	Mol_red1.pdb			Not available	Not available

    Optimized geometry(ies)

No	PDB file(s)	Download	3D visualization
1	Mol_m1/Mol_m1-c1-qmra.pdb
2	Mol_m1/Mol_m1-c1-rbra1.pdb
3	Mol_m1/Mol_m1-c1-rbra2.pdb

    Force field library(ies)

No	mol2 file(s)	Download	3D visualization
1	Mol_m1/Mol-sm_m1-c1.mol2

    RESP fitting file(s)

No	input file(s)	Download
1	Mol_m1/input1-sm_m1.in
2	Mol_m1/input2-sm_m1.in
No	output file(s)	Download
3	Mol_m1/output1-sm_m1.log
4	Mol_m1/output2-sm_m1.log

    Charge value correction and comparison

No	File(s)	Download
1	Mol_m1/Mol-sm_m1-charge.txt
2	Mol_m1/Statistics_m1.txt

    Force field parameters and LEaP script

No	File(s)	Download
1	frcmod.correspondence
2	frcmod.known
3	frcmod.unknown
4	leaprc.q4mdfft

Download the whole project...

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