Dear Amber users,
I intend to obtain lifetime and occupancy data for electrostatic
interaction between two atoms, using the hydrogen bond analysis
facility of ptraj. However, both the atoms are not electron acceptors,
i.e, neither have hydrogens attached to them. In one of the mail
threads it was mentioned that in such a case, acceptor and acceptorH
can be the same atom. When I followed that, however, I did not get any
output, although I know there is interaction between the two atoms.
Here's my input:
donor mask :1.O1P
acceptor lig N13 N13
hbond distance 3.5 time 2 series PO_lig out PO_lig.dat
The output file shows no interaction although the donors and acceptors
are recognised correctly. Do help me find out where I am going wrong
Thanks
---
Debostuti
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Received on Tue Feb 05 2013 - 05:30:02 PST
