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discussion GaMD in OpenMM
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GaMD
Hello! I am learning accelerated sampling and fortunately found GaMD. I am using one membrane-bound protein as a system with lower-dual boost. However, the total potential is always 0.0 and the dihedral potential is active during the production GaMD run. I noticed that the total boost values would be non-zeron and zero during equilibration period. I am attaching the input xml file and the log file. Please tell me what's going on in the GaMD simulation. Thank you.
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- 2026-05-30 08:06:05.603000
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