Re: [AMBER] autoimage for grid analysis with cpptraj

From: Gustaf Olsson <>
Date: Tue, 22 Sep 2020 13:10:27 +0000

I seem to remember there being a referral to GitHub for cpptraj related questions though I hoped someone here had some insight so as not to add to a growing list of "todos".

I ran a couple of analyses and checked with diff. Everything turns out identical so regardless of the function of “familiar” it does not seem to affect my output in this case in any detectable manner.

I interpreted the manual as seemingly indicating a “re-imaging”

    "[familiar] Image to familiar truncated-octahedral shape; this is on by default if the original cell i truncated octahedron.”

I interpreted this as “if the original cell is not in truncated octahedron, use this option to make it truncated-octahedral”. Though as concluded, for these analyses it does not seem to matter anyway as the output with/without “familiar” is identical (maybe there is an extra hyphen ore one missing here).

Thank you for the kind response
// Gustaf

> On 22 Sep 2020, at 14:45, David A Case <> wrote:
> On Tue, Sep 22, 2020, Gustaf Olsson wrote:
>> autoimage :1-11 origin familiar
>> The original cell is not a truncated octahedron.
> Dan is probably busy, so I'll try to answer: I pretty sure that
> "familiar" is just ignored if you don't have a truncated octahedron.
> (You might inspct the cpptraj log file to see if there is any indication
> there of what is happening.)
> ...dac
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Received on Tue Sep 22 2020 - 06:30:03 PDT
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