Re: [AMBER-Developers] Third release candidate for AmberTools 1.5

From: <yildirim.pas.rochester.edu>
Date: Sun, 27 Mar 2011 13:23:53 -0500 (CDT)

I have a question regarding the amber ff10 force field. Is there any
revision for chi torsions? If yes, which parameter set is used?

   Ilyas Yildirim, Ph.D.
   -----------------------------------------------------------
   = Department of Chemistry - 2145 Sheridan Road =
   = Northwestern University - Evanston, IL 60208 =
   = Ryan Hall #4035 (Nano Building) - Ph.: (847)467-4986 =
   = http://www.pas.rochester.edu/~yildirim/ =
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On Sun, 27 Mar 2011, Jason Swails wrote:

> On Sun, Mar 27, 2011 at 4:39 AM, case <case.biomaps.rutgers.edu> wrote:
>
>> Hi everyone:
>>
>> I have posted a new release candidate here:
>>
>> http://ambermd.org/downloads/AmberTools.26mar11.tar.bz2
>>
>> Still needed:
>>
>> 1. Proofreading of Users' Manual.
>> 2. Testing of the ff10 force field files
>>
>
> How would we check that the RNA/DNA force fields act as advertised? Are the
> chi.OL3 parameters found in a separate frcmod file somewhere that we could
> add onto ff99bsc0?
>
> 3. Minor tweaks to the tests, esp. MMPBSA.py
>>
>
> What tweaks are needed here?
>
>
>>
>> I know lots of people are at ACS, but any help you can give (especially for
>> item 2) would help us get this baby out the door.
>>
>> ...thanks...dac
>>
>>
>> _______________________________________________
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>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>

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Received on Sun Mar 27 2011 - 11:30:03 PDT
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