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Dear colleagues, I'm trying to do an excited state relaxation calculation and I'm getting this error: The step requested is out of bounds IStep = 145 but MinStp = 1 and MaxStp = 144 Does anyone...
17 December 2022 5,535 1 View
I want to run normal mode calculations in Amber16, but it seems amber is not able to find the necessary program. This is the actual error message: MMPBSA_Error: Could not find necessary program...
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