[gmx-users] simulation of the protein in vacuum

[David van der Spoel]

On Wed, 2005-01-12 at 09:34 +0100, Nikolai Smolin wrote:
> Hallo everybody,
> 
> I want to simulate protein in the vacuum (I mean one protein molecule in big box).
> Can somebody tell me the some tricks?
> What I must do to prepare such sumulations.
set all cutoffs to zero, nstlist = 0 and use comm-mode = angular
> 
> 
> thank you in advance
> 
> Nikolai Smolin
-- 
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
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++