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GOMC does not read CHARMM parameter files missing Urey-Bradley terms #147

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jpotoff opened this issue Nov 20, 2019 · 1 comment
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GOMC does not read CHARMM parameter files missing Urey-Bradley terms #147

jpotoff opened this issue Nov 20, 2019 · 1 comment
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@jpotoff
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jpotoff commented Nov 20, 2019

Apparently GOMC does not have the ability to ignore missing Urey-Bradley terms when using CHARMM input files. If it does not find Urey-Bradley terms, it segfaults while reading the parameter file. As a workaround, one can set all UB terms to zero, but that is annoying and error prone.

gomc_stuff.tar.gz
@jpotoff jpotoff added the bug label Nov 20, 2019
@msoroush
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Please refer to Issue #148 and #149

@YounesN YounesN mentioned this issue Jan 21, 2020
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