AMBER Archive (2007)

Subject: Re: AMBER: sander/topology problem

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Fri Mar 23 2007 - 09:15:21 CST

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 Jinsoo,

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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