[AMBER] RMSD of residues within 3A of ligand

From: Sadaf Rani <sadafrani6.gmail.com>
Date: Fri, 22 Oct 2021 18:56:41 +0500

Dear Amber users
I want to calculate rmsd of the residues within 3 A of the ligand for which
I used the following syntax
rms to first :490<.3 first out rmsd_lig3A.dat
rms tofirst1:490 first out rmsd_lig3A.dat
However, I am getting the same curve for both which shows that the syntax
for 3A has not been taken up by the cpptraj.
Could you please correct me where I am doing wrong?
Thanks in advance.
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Received on Fri Oct 22 2021 - 07:00:02 PDT
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