Re: [gmx-users] Question about dihedral angle notation

2012-12-02 Thread Justin Lemkul
On 12/1/12 1:54 PM, Andrew DeYoung wrote: Hi, I am looking at the file ffbonded.itp located in the oplsaa.ff directory (usually located in /usr/local/gromacs/share/gromacs/top/oplsaa.ff). I see the following entry in the [ dihedraltypes ] section: C3 CT OH HO 3

[gmx-users] Question about dihedral angle notation

2012-12-01 Thread Andrew DeYoung
Hi, I am looking at the file ffbonded.itp located in the oplsaa.ff directory (usually located in /usr/local/gromacs/share/gromacs/top/oplsaa.ff). I see the following entry in the [ dihedraltypes ] section: C3 CT OH HO 3 0.41840 1.25520 0.0 -1.67360 0.0