Re: [AMBER] loading force field ff14SB

From: Jiri Sponer <>
Date: Tue, 28 Oct 2014 17:17:05 +0100 (MET)

>> Dear all,
>> We are now starting some simulations with the new force field
>> recommendations as of AMBER14 ...
>> In the manual it is written that the RNA force field included in ff14SB
>> is ff99+bsc0+chiOL3 .... First, I also believe it is an unfortunate
>> confusion to include nucleic acids force fields under the name "ff14SB"
>> which is a protein force field.
> I think this could be the inertial remnants of a time when protein and
> nucleic acid force field development was not so specialized, such that
> they were more or less developed together.
> I can understand the initial confusion, although hopefully it isn't too
> difficult to find the required clarity in the documentation.

I tend to agree with Vlad. There are already multiple papers that
simulate NA and specify a protein force field instead.
Either Duan et al or Hornak et al. It will lead to a major confusion,
my prediction, especially the "SB" flag. Jiri

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Received on Tue Oct 28 2014 - 09:30:02 PDT
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