Hi,
Assuming the 2 chains are not bonded, you can just use the 'translate'
action to move a selected group of atoms a certain distance away, e.g.
translate :101-200 x 10
Note that this will only move the atoms in the mask. You may want to add a
'check' command afterwards to make sure no bad clashes are introduced.
-Dan
On Wed, Feb 16, 2022 at 3:17 AM Eugene huh <eugeneh55.gmail.com> wrote:
> 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
> ᐧ
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Received on Wed Feb 16 2022 - 12:30:02 PST
