Jérôme Hénin

@fhh2626 You should be able to patch the clean namd/devel repo now and build without issues. Thanks for your report!

Strange, I cannot reproduce this issue. By default `update-colvars-code.sh` clones the master branch of OpenMM as well, and this is working for me.

Can you try just relaxing the test criterion slightly - in abf_data.cpp, replace lines 112-113 with: ``` double diff = mins[j] + widths[j] * (pos[j] + 0.5) - xi; if...

Independently from that, maybe your needs would be covered by the poisson_integrator program under colvartools?

> The reason why I do not want to use the pABF integrator is due to the artifacts near the boundaries, and my metastable states are just lying at the...

Fixed by 6a7f38554e700e780c261e327a51e91468a9c5e4

A VMD test fails with a segfault. Locally I can't replicate the segfault but I do get an error: > colvars: Error: trying to interpolate between two colvarvalues with a...

Freshly rebased onto master. Provided that the tests pass, I'll request a final review @giacomofiorin

Well, after fixing my oversight, we have passing tests! Ready for merging IMO.

@giacomofiorin followed your advice and moved the test into the update_* functions