Files: Difference between revisions
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basic input files |
input file |
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* topology building blocks ''hippo_protein_database.dat'' | * topology building blocks ''hippo_protein_database.dat'' | ||
* pdb file | * pdb file | ||
== Command input file == | |||
Hippo's actions are controlled by the command input file, '''hippo_input.txt'''. It controls what kind of simulation is run, where the coordinates are loaded from, and which parameters are to be used. The input file is '''row/column fixed format''', which means that lines denoting parameters have to be always in the same order in the input file (you can't leave any rows out!) and that parameter values always have to start in the correct column. | |||
The sanest way of writing an input file is to use an example input file from the <tt>test</tt> directory and modify the parameter values. | |||
[[Category:Hippo]] | |||
Latest revision as of 20:01, 18 October 2008
Overview over files used by Hippo.
- input file hippo_input.txt
- force field oplsaa_forcefield.dat
- topology building blocks hippo_protein_database.dat
- pdb file
Command input file
Hippo's actions are controlled by the command input file, hippo_input.txt. It controls what kind of simulation is run, where the coordinates are loaded from, and which parameters are to be used. The input file is row/column fixed format, which means that lines denoting parameters have to be always in the same order in the input file (you can't leave any rows out!) and that parameter values always have to start in the correct column.
The sanest way of writing an input file is to use an example input file from the test directory and modify the parameter values.
