Dear Amber users,
I'm new on amber and trying to do start a MD simulation of my protein
with one calcium ion binded by a loop, in explicit solvent.
In my PDB file, i have at the end
TER 1038 ASN 130
ATOM 1039 KA CAL 131 38.176 33.816 20.115 1.00
15.29 C0
END
I have searched on the board and found theses answers :
http://archive.ambermd.org/201102/0357.html
http://archive.ambermd.org/200709/0211.html
http://archive.ambermd.org/200807/0389.html
but infortunately, whatever i try with these explanations :
(Residue 130: CAL, Terminal/last, was not found in name map.)
Meaning that my residue and atom type is not found.
Can you give me examples or tutorials of amber simulation with ions ?
/Best regards,
Quentin Delettre
/
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Received on Wed Feb 15 2012 - 07:30:02 PST
