[gmx-users] do_dssp

[David van der Spoel]

Tsjerk Wassenaar wrote:
> Hi Gurpreet,
> 
> The common message is "don't worry, mdrun doesn't write broken
> molecules". So you're secondary structure will not be affected by
> periodic boundary conditions.
> 
> Cheers,
> 
> Tsjerk
> 
> On 12/21/06, singh <singh at biophysik.chemie.uni-dortmund.de> wrote:
>>
But there could be a problem for beta sheets between different chains 
and for crystal contacts.

-- 
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://folding.bmc.uu.se
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