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

From: Markus Kaukonen <markus.kaukonen.iki.fi>
Date: Mon, 26 Oct 2009 10:14:48 +0200

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.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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
--www=http://www.iki.fi/markus.kaukonen
--Markus.Kaukonen.iki.fi
--office: N102 Nano building FIN-02015 TKK
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068, w 4518694, 050-5112785
--Rikos ei kannata, eika maatalous
--Suomessa. (Paimio 1998) ---
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 26 2009 - 01:30:02 PDT
Custom Search