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FEP calculations: Are the MDP files templates? #270

Answered by orbeckst
a-ws-m asked this question in Q&A
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Technically speaking all lines are mutable because of the “sed” approach that we used to changing these templates. Originally the idea was that each file should be “runnable” but as this example shows, you still need the appropriate NDX file to define a group.

However, going forward it would be a good idea to use more of an explicit and modern templating approach (as you have used in your PR).

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