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by penglai wang
Sun Nov 10, 2019 5:31 am
Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
Topic: Molecular dynamics simulation of fatty acid lipids
Replies: 0
Views: 189

Molecular dynamics simulation of fatty acid lipids

The following error occurred when running forcebalance first step ForceBalance.py very_simple.in: Traceback (most recent call last): File "/home/wangpenglai/anaconda2/bin/ForceBalance.py", line 39, in Run_ForceBalance objective = Objective(options, tgt_opts, forcefield) File "/home/wangpenglai/anaco...
by penglai wang
Sun Nov 10, 2019 5:29 am
Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
Topic: Molecular dynamics simulation of fatty acid lipids
Replies: 0
Views: 150

Molecular dynamics simulation of fatty acid lipids

The following error occurred when running forcebalance first step ForceBalance.py very_simple.in:
Traceback (most recent call last):


ValueError: The truth value of an array with more than one element is ambiguous.

I don't know how to solve it, I hope you can see for help.