RE: [gmx-users] merger ligand and protein to constriant

2006-09-18 Thread Fan, Fenghui
e Gro file. -Original Message- From: [EMAIL PROTECTED] on behalf of ?? Sent: Tue 9/12/2006 7:07 AM To: gmx-users@gromacs.org Subject: Re:[gmx-users] merger ligand and protein to constriant What about merging the ligand the the protein by DeepView? In your mail: >From: "kanin wichapong&

Re: [gmx-users] merger ligand and protein to constriant

2006-09-12 Thread Bjoern Windshuegel
Hi, you can also have different chains (Protein and Ligand) and constrain them. Using the -merge option you can merge the ligand into the protein but for that you need the topology for the ligand (as rtf, not from prodrg). If you use Prodrg-topology you first set up the protein without ligand.

Re:[gmx-users] merger ligand and protein to constriant

2006-09-12 Thread 王准
What about merging the ligand the the protein by DeepView? In your mail: >From: "kanin wichapong" <[EMAIL PROTECTED]> >Reply-To: Discussion list for GROMACS users >To: gmx-users@gromacs.org >Subject: [gmx-users] merger ligand and protein to constriant >Date:Tue, 12 Sep 2006 13:40:59 +0200 > >H