Minimization: documentation and constrains ?

Discussions on how to set up simulations, typically starting from a pdb file.
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m.kalavera
Posts: 29
Joined: Mon Feb 09, 2009 10:58 am

Minimization: documentation and constrains ?

Post by m.kalavera » Wed Feb 11, 2009 3:41 pm

Currently I'm setting up a minimization with an 1 letter code sequence as input. At the moment the minimization works still fine with the example "hippo_input.txt" included in the hippo test job:minimize_cyclical_sequence. But there are still some entries that are not documented in the normal manual.pdf .
For my minimization, it would be great to fix/constrain the backbone atoms at first. So if there is the possibility for constrains or any kind of documentation about minimizing, just let me know.

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