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: [EMAIL PROTECTED] 2007-12-03 >Message: 6 >Date: Sun, 2 Dec 2007 18:44:48 -0800 (PST) >From: Tawhid Ezaz <[EMAIL PROTECTED]> >Subject: [gmx-users] help regarding pull code >To: gmx-users@gromacs.org >Message-ID: <[EMAIL PROTECTED]> >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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