[gmx-users] dihedral potential OPLSAA force field (correction)

2008-08-01 Thread David Huang
C3 C-C-C-C3.56686 -1.889076 0.656888 -2.33467 -David Huang ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before

[gmx-users] dihedral potential OPLSAA force field

2008-08-01 Thread David Huang
C2 C3 C-C-C-C 2.9288 -1.4644 0.2092 -1.6736 C-C-C-H 0.6276 1.882800.0 -2.5104 H-C-C-H 0.6276 1.8828 0.0 -2.5104 -David Huang ___ gmx-users mailing listgmx-

[gmx-users] .itp file for polymer

2008-05-13 Thread David Huang
hi i'm new to gromacs and am trying to construct an initial configuration for a system of polymer chains. i've looked through previous posts to the mailing list (such as the one attached below) and read chapter 5 of the gromacs manual and the wiki, but it is still not clear to me how to construct