Bin,
If you put something carbohydrate-related in the title, it's likely
folks will wait for me to reply. As I told you elsewhere, I'm a bit
overwhelmed for a few days.
If you need bonds to go across a periodic boundary, e.g., simulate a
pseudo-infinite cellulose chain, then AMBER isn't able to do that
(unless the functionality is recent and I haven't heard yet). If
there are not bonds across the boundary, as is the case in a typical
membrane, you should be fine.
If you want to know about bonds across a periodic boundary, ask about
that in the subject, and you might get faster service. If you want
the later, I can help in a few days.
:-) Lachele
On Mon, Sep 19, 2011 at 11:19 PM, bin wang <wang_p_z.yahoo.com.cn> wrote:
> It seems that my first post didn't show up in the mailing list, so I post my
> message again.
> Hello Amber users,
> Is it possible to build a surface/membrane of repeated cellulose units using
> Amber so that we can do simulation of protein-cellulose interaction? I know
> some groups have done it, but they didn't use Amber. Could anybody let me know
> if Amber can do it? or what software is good at this type of simulation? Thank
> you very much!
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Wed Sep 21 2011 - 06:30:04 PDT
