AMBER Archive (2009)

Subject: Re: [AMBER] PMEMD vs GROMACS?

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Tue Feb 24 2009 - 02:46:36 CST

Sorry, I missed the amber and charmm force field ports for GROMACS...

vlad

Hannes Loeffler wrote:
> On Tue, 2009-02-24 at 09:24 +0100, Vlad Cojocaru wrote:
>
>> In GROMACS you cannot use neither charmm,
>> nor amber force fields unless you implement it yourself.
>>
>
> Both force fields are available for GROMACS
> http://chemistry.csulb.edu/ffamber/
> http://www.dbb.su.se/User:Bjelkmar/Ffcharmm
>
> There is also a topology converter from AMBER to GROMACS.
> http://chemistry.csulb.edu/ffamber/amb2gmx.pl
>
> Don't know how well this works but it is there.
>
>
> Hannes.
>
>
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> 

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Dr. Vlad Cojocaru

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e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de

http://projects.villa-bosch.de/mcm/people/cojocaru/

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