[gmx-users] HYL force field

Ming Tang m21.tang at qut.edu.au
Mon May 11 04:28:12 CEST 2015


Hi, 范聪

I have never worked with ligand, and will try to learn this tutorial.
Thanks.

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of ??
Sent: Monday, 11 May 2015 11:03 AM
To: gmx-users at gromacs.org
Cc: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] HYL force field

Hello, can you treat HYL as ligand and build its forcefield parameters referring to this  link http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex/index.html
At 2015-05-11 08:39:39, Ming Tang <m21.tang at qut.edu.au> wrote:
>Dear all,
>
>I want to simulate a protein containing hydroxylysine (HYL). I checked all the force fields, but no .rtp file includes the parameters of it. How can I derive it correctly?
>
>Thanks.
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