[AMBER] Move a specific residue parallel using cpptraj

From: Eugene huh <eugeneh55.gmail.com>
Date: Wed, 16 Feb 2022 17:17:23 +0900

Dear all,

I would like to increase the distance between two parallel chains in
parallel.

In other words,
Chain 1 ':1-100' (residues numbered 1 through 100)
Chain 2 ':101-200' (residues numbered 101 through 200)
Currently, the distance between Chain 1 and Chain 2 is about 2A.

However I would like to move Chain 2 to increase the distance between Chain
1 and 2 in parallel (3A, 4A, ... 10A .. etc.) (or move about a specific
axis)

I think it can calculate using cpptraj, but I can't find in the manual in
cpptraj.

Thank you for your help.
Best regards,

Eugene

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Received on Wed Feb 16 2022 - 00:30:03 PST
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