new release

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Gary Huber

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Jan 26, 2022, 9:55:19 PM1/26/22
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Dear Browndye users,

We have a new release.  A new feature is the ability to define a "restraint" between two atoms - a restriction that they can move no further than a certain distance apart. Any move that puts them past that distance is rejected.  Because of that, the restriction to one or two groups is lifted, since they can be prevented from drifting off into space.

Also, the coffdrop.xml.gz and connectivity.xml files have been corrected; if you are doing any COFFDROP simulations involving phenylalanine, you must download these files anew.


Gary
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