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Add support to write out rigid water for GROMACS #726

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daico007 opened this issue May 9, 2023 · 1 comment
Open

Add support to write out rigid water for GROMACS #726

daico007 opened this issue May 9, 2023 · 1 comment
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@daico007
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daico007 commented May 9, 2023

This stem from a discussion with Dr. Potoff, we probably want to add the support to write out rigid water (only) to gromacs top file soon. Specifically, writing out the settles section so that we can have rigid water when it's in a mixed system.

@daico007 daico007 self-assigned this May 9, 2023
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daico007 commented May 9, 2023

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