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MDynSB

Please upload input file in PDB format:

Main options for the program:

MD for defined LOOPs onlyLOOPs file:
( LOOPs file format description)
RUN Simulated Annealing MD protocol Protocol file (optional, default one will be used if not specified):
(protocol file format description)

Solvation energy/force is ON
add Hydrogens if Input PDBfile has no H

Initial temperature is  K
Thermal bath temperature is  K
Maximal number of MD steps is
Frequency to write SNAPshots for MD trajectory

 

 Do not exclude technical details from the program's output.

[Help] [Show advanced options] 
[Example: full Protein Mol. Dyn.]
[Example: full Protein Mol. Dyn. + Simulated Annealing]
[Example: loop Mol. Dyn.]
[Example: loop Mol. Dyn. + Simulated Annealing]

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Last modification date: 24 Jul 2007