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Amber Community,
I downloaded the lanthanide parameters from the AMBER parameter webpage (
http://pharmacy.man.ac.uk/amber/) lanthanides, Eu(3+), La(3+), Yb(3+) PREP FRCMOD Baaden. After unzipping the prep files, I tried to load the Eu3+ file into leap it stopped with the message "Unexpected EOF: discarding residue ( -50 -50)".Why is this? Is this prep format an older format? How would I have to
modify the file to get it to work?
I have pasted the body of the file below as well.
Best Regards,
Armin
M XYZ 1 1 1 1 2 1
E EU Eu
-50 -50
-50 -50 -50
-50 -50 -50 -50
1
0
0 1 2 0
1
0
3.0000
-0.03100 -0.20000 0.22700
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Received on Thu Jul 21 2005 - 22:53:00 PDT
