AKEngels / CAST

Conformational Analysis and Search Tool
GNU Lesser General Public License v3.0
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Describe sections in the CAST Manual and keep sample inputfile "CAST.txt" up-to-date #14

Open S0S-90 opened 6 years ago

S0S-90 commented 6 years ago

There are a few tasks in CAST that are not (or not sufficiently) described in the manual. These seem to be:

So please, if you know something about any of these tasks, write it in the manual for other people who want to use it. Also after implementing new functionality it would be nice to describe it there when you merge it to devel branch. And you should add new options to the sample inputfile "CAST.txt" after implementing them.

S0S-90 commented 6 years ago

Tasks NEB and PATHOPT were added by copying stuff from tutorial.

S0S-90 commented 4 years ago

Some stuff for SCAN2D has also been added.