VMD-L Mailing List

From: Ganesh Kamath (gkamath9173_at_gmail.com)
Date: Mon Jan 16 2012 - 17:05:19 CST

Hi All,

 I am having certain issues regarding atom selection using HBOND plugin. I am
trying to determine the hbond between two atoms NR1 and OBT belonging to the
cation BMI and anion TF2N as a function of the entire trajectory.

Selection 1 : resname BMI and type NR1
Selection 2: resname F2N and type OBT

Donor acceptor distance =3.2
Angle cutoff = 20

I click on All hbonds.

I get a data vector empty. But if I look at the frames there are atoms
NR1 within 3 A of OBT.

Can some one please advise.

Thanks for your time.

Regards,
ganesh