[gmx-users] merger ligand and protein to constriant

王准 wangzhun at pumc.edu.cn
Tue Sep 12 14:07:37 CEST 2006

What about merging  the ligand the the protein by DeepView? 

In your mail:
>From: "kanin wichapong" <kwichapong at gmail.com>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] merger ligand and protein to constriant
>Date:Tue, 12 Sep 2006 13:40:59 +0200
>Hi all
>  I already look in the turorial however that is not the thing that I try to
>look for. I would like to merge the ligand into the protein and then make
>the contrain between two atoms, one from the liagand and one from the
>protein. However, as far as I know, I can do the constraint or restraint
>just in the one chain. I cant do that with the different chain. So that i
>try to merge ligand chain and protein chain. I tried to do that with pdb2gmx
>but it is not work. So that i would like to know is there any way to merge
>the ligand chain with the protein chain.
>    Thanks for all your suggstions
>Best Regard
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