AMBER Archive (2006)

Subject: AMBER: Error in loading molecule in tleap

From: Gobind Bisht (
Date: Fri Jul 07 2006 - 13:01:45 CDT

Hi all,
        I'm loading my protein molecule conatining ADP,ATP,PO4 and MG2. I
have loaded ATP,ADP,PO4 externally by loading their prep file and checked
that they loaded properly by "check" command. Also since my file defines
MG2+ as MG , i defined an alieas fro MG2 (which is present in tleap) as MG.
Therefore i expect tleap will recognise MG (Mg2+) in my file. However it
gave the errror:

One side connection. Residue :MG2 missing connect0 atom

Can somebody please help.
thanx a lot in advance!

Gobind Singh Bisht
Department Of Biotechnology
IIT Kharagpur, Kharagpur-721302
West Bengal,

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