Dear all, I have some doubt for the output force. What contributions do the output forces in .trr file include? Certainly, the pair forces and bonded interactions are included. However, if the external field (such as electric field) is applied, is the external force included? In addition, if the constraint (such as LINCS or SHAKE constraints) is used, is it also included in the output force? If so, how is the constraint contribution calculated?
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