Hi,
Hope every thing is working fine at your side.
Just wanted to ask about the HB field for the mdrun with explicit solvent. I have this field zero for the explicit solvent with solventcap option used. Is this because of the ff99 force field or is it due to something else? Is there a way to calculate the energy for HB? Moreover, will this not be the case with ff03 forcefield.
Appreciate your comments,
Thanks,
Waqas.
PS: I am using amber version 8.0 with ff99 and glycam06 forcefields.
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Received on Wed Sep 17 2008 - 03:07:53 PDT
