[gmx-users] constraints vs bonds

Nuno R. L. Ferreira nunolf at ci.uc.pt
Wed Jan 19 15:45:23 CET 2005


Hi there

If I define constraints (type 1) in the solvent itp, does this mean that the
solvent will be a rigid model?
Instead of using constraints, if I define the bonds (bonds field) in the
same itp, the molecule will be not rigid.
Is this true?

regrads,
Nuno

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Nuno Ricardo Santos Loureiro da Silva Ferreira
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra - Portugal
Fax: +351 239 827703  - www.biolchem.qui.uc.pt
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