[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?

Thanks!

Regards!
                    
Sincerely,

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
          2006-02-10


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