Fix issue #484 #485
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Fix issue #484 #485
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Well, even the sandpit settings don't work, so there we go. |
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This PR closes #484 by updating the default GROMACS NPT configuration to match the Recursion sandpit. The updated defaults satisfy the constraint on
tau-p, which is now strictly enforced bygmx grompp.develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]