Re: [AMBER] output partial residues

From: He, Amy via AMBER <amber.ambermd.org>
Date: Tue, 30 Jul 2024 21:45:40 +0000

Hi!

If you only want to remove the hydrogens from a PDB file, you can use program reduce (a pre-built executable is included within Amber) and the -Trim flag to do that conveniently.


From: 百毒不侵√ via AMBER <amber.ambermd.org>
Date: Tuesday, July 23, 2024 at 9:27 PM
To: amber <amber.ambermd.org>
Subject: [AMBER] output partial residues
Hi:
&nbsp;I have top and crd files. Now I want to export&nbsp;&nbsp;partial residues with amber.&nbsp;The following are my scripts. What should I do ?


parm id.top
trajin id.crd 3 3
strip :WAT,Na+,Cl-
strip .H*
trajout id.pdb&nbsp;








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Received on Tue Jul 30 2024 - 15:00:02 PDT