Dear AMBER users,
I'm new to AMBER and thus do not familiar with AMBER usage. I'm wondering whether we gradually reduce the restraint within one step, other than step-by-step?
Besides, I was encountered with another problem. When I tried to generate *.prmtop and *.inpcrd files for a magnesium containing RNA system using leaprc.rna.ff98, errors were returned as follows:
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For atom: .R<MG2 76>.A<MG 1> Could not find type: MG
For atom: .R<MG2 77>.A<MG 1> Could not find type: MG
For atom: .R<MG2 78>.A<MG 1> Could not find type: MG
For atom: .R<MG2 79>.A<MG 1> Could not find type: MG
For atom: .R<MG2 80>.A<MG 1> Could not find type: MG
For atom: .R<MG2 81>.A<MG 1> Could not find type: MG
For atom: .R<MG2 82>.A<MG 1> Could not find type: MG
Parameter file was not saved.
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Thank you very much!
Best,
Yufeng Liu
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Received on Thu Apr 25 2013 - 21:00:02 PDT
