AMBER Archive (2007)

Subject: Re: AMBER: sander/topology problem

From: Jin-Soo Kim (kjs2000_at_gmail.com)
Date: Sat Mar 24 2007 - 05:17:51 CST

Thank you for your kindness.
I will do that.

Jinsoo Kim

2007/3/24, Gustavo Seabra <gustavo.seabra_at_gmail.com>:
>
> Jin-Soo Kim wrote:
> > Hello,
> >
> > I am a "sander" user.
> >
> > Is sander.MPI support different 'molecules' for coupling?
> >
> > Thank you,
> >
> > Jinsoo Kim
> > KU Korea
> Hi Jin-Soo,
>
> Could elaborate a bit more on what you want to do? Do you mean using a
> different thermostat for different areas/molecules? If so, I don't think
> it's possible in sander. (I've never tried it though, so others may know
> better.)
>
> Gustavo.
>
> P.S.: It's better that you send a new e-mail, instead of just replying
> to an old one, and include a subject line that better reflects your
> question. (Take a look at the footer added automatically to all e-mails
> in the list.)
>
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-- 
Jin-Soo Kim
KonKuk Univ.
kjs2000_at_gmail.com

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