[gmx-users] Re: help regarding pull code

[Li Zhenhai]

Hello, Tawhid

In the file pull.ppa, you can appoint a direction to pull

And if you want to pull some atoms together, you can make them in one same group in the *.ndx file and give them a name like ‘pull'. And then, put the 'pull' in group_1 .

Li Zhenhai
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
China
Tel: 86-10-62773779
E-mail: shibalagu.thu at gmail.com

2007-12-03

>Message: 6
>Date: Sun, 2 Dec 2007 18:44:48 -0800 (PST)
>From: Tawhid Ezaz <ezaztaw at yahoo.com>
>Subject: [gmx-users] help regarding pull code
>To: gmx-users at gromacs.org
>Message-ID: <504067.17905.qm at web83506.mail.sp1.yahoo.com>
>Content-Type: text/plain; charset="us-ascii"
>
>Hi I am trying to understand the pull code with the tutorial i found from here. 
>
>http://www.csc.fi/chem/course/gmx2007/
>
>i have a  confusion about it. 
>
>when i put one atom in the reference group and the other atom in the group_1, doesn't it mean that, the pulling should be in one direction? But the result i am getting, it looks like it is pulled in both way. 
>
>and if I wanted to pull with a group of atom, should I just put the atoms in group_2, group_3, in this manner?
>
>can any one help me with this? 
>
>
>Thanks in advance.
>
>Tawhid
>
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