Hi all:
I would like to add magnesium to the RNA molecule before perform the MD simulations, However, when I use the tleap to add magnesium ions, some error happened
the software vision is AMBER 9, and the force filed is leaprc.rna.ff98
Here is the command
model=loadpdb xxx.pdb
addions MG2 30
solvatebox model TIP3PBOX 8.0
when I want to save the prmtop and inpcrd files, some error happened
For atom: .R<MG2 84>.A<MG 1> Could not find type: MG
For atom: .R<MG2 85>.A<MG 1> Could not find type: MG
For atom: .R<MG2 86>.A<MG 1> Could not find type: MG
For atom: .R<MG2 87>.A<MG 1> Could not find type: MG
For atom: .R<MG2 88>.A<MG 1> Could not find type: MG
For atom: .R<MG2 89>.A<MG 1> Could not find type: MG
For atom: .R<MG2 90>.A<MG 1> Could not find type: MG
For atom: .R<MG2 91>.A<MG 1> Could not find type: MG
For atom: .R<MG2 92>.A<MG 1> Could not find type: MG
For atom: .R<MG2 93>.A<MG 1> Could not find type: MG
For atom: .R<MG2 94>.A<MG 1> Could not find type: MG
For atom: .R<MG2 95>.A<MG 1> Could not find type: MG
For atom: .R<MG2 96>.A<MG 1> Could not find type: MG
For atom: .R<MG2 97>.A<MG 1> Could not find type: MG
For atom: .R<MG2 98>.A<MG 1> Could not find type: MG
For atom: .R<MG2 99>.A<MG 1> Could not find type: MG
For atom: .R<MG2 100>.A<MG 1> Could not find type: MG
For atom: .R<MG2 101>.A<MG 1> Could not find type: MG
For atom: .R<MG2 102>.A<MG 1> Could not find type: MG
For atom: .R<MG2 103>.A<MG 1> Could not find type: MG
For atom: .R<MG2 104>.A<MG 1> Could not find type: MG
For atom: .R<MG2 105>.A<MG 1> Could not find type: MG
For atom: .R<MG2 106>.A<MG 1> Could not find type: MG
For atom: .R<MG2 107>.A<MG 1> Could not find type: MG
For atom: .R<MG2 108>.A<MG 1> Could not find type: MG
For atom: .R<MG2 109>.A<MG 1> Could not find type: MG
For atom: .R<MG2 110>.A<MG 1> Could not find type: MG
For atom: .R<MG2 111>.A<MG 1> Could not find type: MG
For atom: .R<MG2 112>.A<MG 1> Could not find type: MG
For atom: .R<MG2 113>.A<MG 1> Could not find type: MG
For atom: .R<MG2 114>.A<MG 1> Could not find type: MG
For atom: .R<MG2 115>.A<MG 1> Could not find type: MG
For atom: .R<MG2 116>.A<MG 1> Could not find type: MG
For atom: .R<MG2 117>.A<MG 1> Could not find type: MG
For atom: .R<MG2 118>.A<MG 1> Could not find type: MG
Parameter file was not saved.
How can I fix this problem?
Thanks for your help
2009-05-21
Zhou Gong
School of Physics
Huazhong University of Science and Technology
Wuhan
Hubei Province
China
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Received on Thu May 21 2009 - 08:34:01 PDT
