Re: [AMBER] tleap - extract ion molecules and save it as pdb

From: David A Case <david.case.rutgers.edu>
Date: Wed, 10 Jun 2020 07:33:02 -0400

On Wed, Jun 10, 2020, HOCHEOL LIM wrote:
>
>I am generating ion molecules with addions2 command. I would like to
>extract only ion molecules and save it as pdb format.

Save you UNIT as a pdb file (savePdb); then use grep to pull out the
ions.

(Perhaps not the only solution, but the one that I would use.)

...dac


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Received on Wed Jun 10 2020 - 05:00:04 PDT