hi,
can you try to add keyword "mindist" to nativecontacts?
You can see an example here:
https://github.com/Amber-MD/cpptraj/blob/master/test/Test_NativeContacts/RunTest.sh#L18
Hai
On Mon, Jan 2, 2017 at 2:21 PM, Chris Neale <candrewn.gmail.com> wrote:
> Dear Users:
>
> I see that there was once a cpptraj command called mindist, that would
> return the minimum inter-atom distance between two selection masks.
>
> I am most familiar with the term "depreciated" in computer code meaning it
> is not recommended, but can still be used (whereas something like "removed"
> might be used if the command was no longer available).
>
> However, I can not figure out how to use any depreciated commands in
> cpptraj, which is my main question here. The amber16 manual does not turn
> up anything about how to do this with a search for the word depreciated.
>
> I do see that the cpptraj executable recommends to use the nativecontacts
> command. However, as far as I can tell this does not give minimum distances
> but, rather, the number of inter-group contacts within a specified cutoff.
>
> Thank you,
> Chris.
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Received on Mon Jan 02 2017 - 12:00:02 PST
