[gmx-users] Bonds in a pdb file

David van der Spoel spoel at xray.bmc.uu.se
Sun Jun 1 17:17:32 CEST 2008


h a wrote:
> Dear users,
> 
> There is no description of bond location and nature of 
> bonds(double/triple) in a pdb file. Can anybody please explain me ,then 
> how Gromacs(or any other software) identifies this(bond location/type).
> 
> thank you,

database files. chapter 5.
> 
> Harshith,
> BTech, BSBE, IITK
> harshith at iitk.ac.in <mailto:harshith at iitk.ac.in>
> 
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se



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