AMBER Archive (2008)

Subject: Re: AMBER: a link for Amber ff ported to Charmm

From: Adrian Roitberg (roitberg_at_qtp.ufl.edu)
Date: Sat Jul 19 2008 - 17:10:58 CDT

Alan,
One associated comment,

Even if you could implement the amber-style force fields into charmm,
remember please that charmm's default for the scaling of the 1-4
non-bonded interactions is different than amber's !

Unless this is is taken care somewhere in charmm or its input, you will
get different answers than 'canonical' amber.

a.

Alan wrote:
> Thanks a lot Dave.
>
> I am not kidding, I was doing exactly this prior your mention but link
> to Kluada's was saying 'access not allowed' and could only see it in
> Google cache.
>
> Fortunately it's back apparently. Many thanks again.
>
> Alan
>
> On Sat, Jul 19, 2008 at 7:29 PM, David A. Case <case_at_scripps.edu> wrote:
>> On Sat, Jul 19, 2008, Alan wrote:
>>> I tried some googling without much success. Can someone point me links
>>> referencing amber ff (94, 99 etc.) written in charmm format for charmm
>>> of course.
>>>
>>> I know that with amberTools comes cornell (amber94) for charmm, but a
>>> link and other possible ff ported would be really interesting for me.
>> Go here: http://www.glue.umd.edu/~jbklauda/research/download.html
>>
>> (I got this from http://ambermd.org, by following the "using the Amber force
>> field in CHARMM" link).
>>
>> ...dac
>>
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>
>
> 

-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
                             Quantum Theory Project
                            Department of Chemistry

                  Senior Editor. Journal of Physical Chemistry
                           American Chemical Society

University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian_at_qtp.ufl.edu
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