[gmx-users] Protein comparison
alexander.law at pg.canterbury.ac.nz
Mon Nov 17 12:39:21 CET 2014
You need to investigate further for your particular system and the questions you want answered. Then come back with specific questions and problems.
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of md kashif [kashifzamir180.mk at gmail.com]
Sent: Monday, November 17, 2014 5:07 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] Protein comparison
I have protein pdb file and protein+ligand pdb file generated after
docking. How can I compare them by using gromacs? With the word "compare "
I mean that what kind of analysis I can perform? Should I perform binding
energy calculation or rmsd calculation for protein stability change? Kindly
suggest any tutorial for help.
On Sun, Nov 16, 2014 at 3:13 PM, md kashif <kashifzamir180.mk at gmail.com>
> Dear all
> I have protein pdb file and protein+ligand pdb file generated after
> docking. How can I compare them by using gromacs?
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