AMBER Archive (2009)

Subject: Re: [AMBER] Re: AMBER: periodic bondary condition

From: Markus Kaukonen (markus.kaukonen_at_iki.fi)
Date: Mon Oct 26 2009 - 03:14:48 CDT


Hei,
I went with my carbon nanotubes for Gromacs where bonds across
periodic box boundaries are implemented.
http://www.gromacs.org/Documentation/How-tos/Carbon_Nanotube
(ubuntu package Gromacs)

It was not very user friendly for this problem but doable.
Terveisin, Markus

2009/10/16 case <case_at_biomaps.rutgers.edu>:
> On Fri, Oct 16, 2009, Markus Kaukonen wrote:
>>
>> Is a covalent bond across a periodic boundary still impossible with Amber?
>
> Yes (i.e. still not supported).
>
> ...dac
>
>
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