Re: [gmx-users] g_hbond routine

2012-11-30 Thread Justin Lemkul
On 11/30/12 10:41 AM, Velia Minicozzi wrote: Dear gromacs users, in the Gromacs manual pages (version 4.5.3 page 211) there are the criteria to have an Hbond. r < 0.35 nm, where r is the Donor-Acceptor distance alpha < 30°, where alpha is the Hydrogen-Donor-Acceptor angle in the Manual page f

[gmx-users] g_hbond routine

2012-11-30 Thread Velia Minicozzi
Dear gromacs users, in the Gromacs manual pages (version 4.5.3 page 211) there are the criteria to have an Hbond. r < 0.35 nm, where r is the Donor-Acceptor distance alpha < 30°, where alpha is the Hydrogen-Donor-Acceptor angle in the Manual page for g_hbond (version 4.5.3 page 275) it is writ