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 <[EMAIL PROTECTED]> 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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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