Hi,
You can try the 'hbond' and 'surf' commands in cpptraj. See the manual
for full details.
-Dan
On Tue, Dec 4, 2018 at 5:16 PM Chhaya Singh <chhayasingh014.gmail.com> wrote:
>
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> Date: Wed, Dec 5, 2018, 1:47 AM
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> To: <chhayasingh014.gmail.com>
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> ---------- Forwarded message ----------
> From: Chhaya Singh <chhayasingh014.gmail.com>
> To: AMBER Mailing List <amber.ambermd.org>
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> Date: Wed, 5 Dec 2018 01:46:49 +0530
> Subject:
> Hey
> I have a system which has protein and water . My protein is a protofilament
> in which i have introduced a mutation
> I want to calculate hydrogen bond per residue
> SASA per residue as well as per monomer and how it is interacting with
> other chains.
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Received on Mon Dec 10 2018 - 07:00:02 PST
