[gmx-users] top file confusion

Rongliang Wu wurl04 at iccas.ac.cn
Fri Feb 10 04:01:20 CET 2006

Hello gmx-users,

	      the gromacs3.3 has an decane.itp file included in top folder, but the decane top i generated with pdb2gmx has somthing different. the function type of dihedrals for the former is 3 while the latter is 1, i don't know what a 3 type is for dihedrals. is it a mistake for the itp file enclosed?



Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences

          wurl04 at iccas.ac.cn

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