Re: [gmx-users] update .hdb file

2016-04-09 Thread ABEL Stephane 175950
<jalem...@vt.edu> To: gmx-us...@gromacs.org, Shahla Omidi <a.om...@shirazu.ac.ir> Subject: Re: [gmx-users] update .hdb file Message-ID: <5708fa41.2060...@vt.edu> Content-Type: text/plain; charset=utf-8; format=flowed On 4/9/16 1:55 AM, Shahla Omidi wrote: > ?Hi > I want to

Re: [gmx-users] update .hdb file

2016-04-09 Thread Justin Lemkul
On 4/9/16 1:55 AM, Shahla Omidi wrote: ​Hi I want to simulate a glycoprotein, I have defined a new residue with charmm36 inorder to update the .hdb file, I need to define the order of atoms that are conecting to atoms that is conecting to H atoms in my new residue but I dont exactly know

[gmx-users] update .hdb file

2016-04-08 Thread Shahla Omidi
​Hi I want to simulate a glycoprotein, I have defined a new residue with charmm36 inorder to update the .hdb file, I need to define the order of atoms that are conecting to atoms that is conecting to H atoms in my new residue but I dont exactly know about the standard format of showing atoms