Cesar Araujo wrote:
Hi,
Anybody knows if there is some way to tell pdb2gmx to
recognize automatically S-S bonds and not through the modification of
specbond.dat file and -ss option???
it does if they are within the normal distance. are your pdb files ok?
Regards,
César.-
-----------------------------------------------------------
Cesar Araujo, Lic. of Chemistry
Department of Molecular Endocrynology
Oulu University Hospital
FIN-90029 OYS, FINLAND
phone: +358 8 3155632
e-mail: [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
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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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