Ah! now I get it. Thanks Berk. On 20 August 2010 16:27, <[email protected]> wrote:
> Hi, > > That depends. > If you have explicit parameters in the dihedral section then 1 and 9 are > equivalent. > If grompp has to look up parameters in the dihderaltypes section there will > be difference > when multiple parameter lines are present the same atom types for a > dihedral type 9. > > Berk > -- Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK. >>http://www.bio.cam.ac.uk/~awd28<<
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