OK,
perfect that.s what I wanted to know.
So just to be really sure:
In case of simulation:
a)
Nucleic acids systems: BEFORE bsc0 NOW equivalent with using ff10
b)
Proteins systems: BEFORE ff99SB NOW equivalent with using ff10
c)
Proteins + nucleid acids systems: BEFORE (ff99SB + bsc0) now equivalent
with using just ff10
Am I right ?
Best wishes,
Marek
Dne Thu, 22 Sep 2011 17:24:56 +0200 Brian Radak <radak004.umn.edu>
napsal/-a:
> I believe ff99SB is only for amino acids (improves helicity or
> something).
> It is almost certainly included in ff10 by default.
>
> On Thu, Sep 22, 2011 at 11:15 AM, Thomas Cheatham <tec3.utah.edu> wrote:
>
>>
>> > For nucleic acids:
>>
>> ...to clarify: for RNA:
>>
>> > ff10 = ff99 + bsc0 + reparameterized glycosidic torsions
>>
>> ...for DNA,
>>
>> ff10 = ff99 + bsc0
>>
>> (since the reparameterized glycosidic torsions do not work particularly
>> well for DNA).
>>
>> --tec3
>>
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Received on Thu Sep 22 2011 - 09:30:03 PDT
