Dear Chris,
Thank a lot for your reply. I am trying the pull code that you have suggested.
And I would be more specific about the problem and code in my future mails.
regards,
Shilpi
On 02/10/11, chris.ne...@utoronto.ca wrote:
> Dear Shilpi:
>
> Can you use something like this?
>
> pullĀ
Hi,
First, please switch to 4.0.5, I have put several fixes in the pull code
in the 4.0 minor releases.
You did not specify pull_init1, nor pull_start, this means you start pulling
at a distance of 0, which means the center of the bilayer.
Setting
pull_start = yes
should fix your problem.
Berk
Hi,
Maybe there is an older grompp in your path.
Type grompp -h to see which version you are using.
And:
which grompp
to see where it comes from.
Berk
> Date: Mon, 11 May 2009 13:03:07 +0300
> From: neamtuand...@gmail.com
> To: gmx-users@gromacs.org
> Subject: [gmx-users] pull code problem
>
>
Hi,
Do you have another line with "pull =" somewhere in your mdp file?
PS You should switch to Gromacs 4.0.4, since it contains several small
bug fixes for the pull code.
Berk
> Date: Mon, 11 May 2009 12:38:35 +0300
> From: neamtuand...@gmail.com
> To: gmx-users@gromacs.org
> Subject: [gmx-use
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