Hi, David,
Then it will be quite slow using potential table compared if I used the LJ
or Buckingham function, right?
Yours Sincerely,
WU Yanbin
------------------------------
Message: 6
Date: Thu, 14 Jun 2007 08:21:36 +0200
From: David van der Spoel <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] Re: Warning when using both LJ and Buckingham
non-bonded interaction
To: Discussion list for GROMACS users < gmx-users@gromacs.org>
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
WU Yanbin wrote:
> Hi, Everybody,
> And I found that if this simulation is on gromacs3.3, the warning
> becomes error.
> Yours
> Sincerely,
>
indeed, since this is not implemented. you canhowever use table
potentials that differe between interaction pairs.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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