Re: [Open Babel] MMFF94 and RNA Quadruplexes

2011-11-10 Thread Geoff Hutchison
> Hi! I am trying to run obenergy on the TERRA Quadruplex (PDB Code 3IBK) and I > am having trouble getting MMFF94 force field to calculate the energy. I am > not sure what is causing this problem (I have only basic knowledge in > computational chemistry) and I was wondering if any of you can help

Re: [Open Babel] MMFF94 and RNA Quadruplexes

2011-11-10 Thread Pascal Muller
Hello, Hi! I am trying to run obenergy on the TERRA Quadruplex (PDB Code 3IBK) and > I > am having trouble getting MMFF94 force field to calculate the energy. I am > not sure what is causing this problem (I have only basic knowledge in > computational chemistry) and I was wondering if any of you

[Open Babel] MMFF94 and RNA Quadruplexes

2011-11-10 Thread ejang
Hi! I am trying to run obenergy on the TERRA Quadruplex (PDB Code 3IBK) and I am having trouble getting MMFF94 force field to calculate the energy. I am not sure what is causing this problem (I have only basic knowledge in computational chemistry) and I was wondering if any of you can help me out.