[gmx-users] [ dihedraltypes ]

2010-06-26 Thread akram gorji
Hi everyone According to OPLS-AA force field, I want to complete section of [ dihedraltypes ] in ff… bon.itp between 4 atoms (carbonyl C , Benzene C , Benzene C , Benzene H ) and also (carbonyl C , Benzene C , Benzene C , Benzene C )for the structure of Benzoic acid . Can you help me? Thank you

[gmx-users] question

2010-01-22 Thread akram gorji
Hi,I want to simulate a finite nono-tubes.Does nonotube be flexible or rigid?which is better?thanks -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (u