AMBER: Error in loading molecule in tleap

From: Gobind Bisht <gsbisht1.gmail.com>
Date: Fri, 7 Jul 2006 23:31:45 +0530

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,
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jul 09 2006 - 06:07:22 PDT
Custom Search