Reply To: Side chain sampling

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April 21, 2009 at 10:32 pm #4072
fabio
Participant

    you may want to try using the mcmin_trials option.

    Additionally you can expand the rotamer set using the -ex options

    for example

    -ex1 7

    adds rotamers with chi1 angles sampled in six quarter standard deviation steps

    see the README for a little more description.