Hi,
What is required to use CHARMM parameters in AMBER? I have parameters for
everything but the Fe:S cluster and would only need the CHARMM parameters
for the Fe:S cluster.
Thanks,
Katie
> Hi,
> maybe this paper is interesting for your purpose:
> http://dx.doi.org/10.1021/bi200046p
> Actually, they develop parameters for CHARMM (that can be used with the
> AMBER program),
> anyway as stated anyway in this mailing list, there is no "CHARMM way" or
> "AMBER way"
> to parametrize such exotic molecules,
>
> Regards,
> Francesco
>
> 2012/5/17 Wilson, Katie <ka.wilson.uleth.ca>
>
>> Hi,
>>
>> I am trying to set up my calculation for a DNA protein complex and there
>> is a 4Fe:4S cluster in the protein. Are there parameters for 4Fe:4S
>> clusters to use in AMBER or a way to parametrize the 4Fe:4S cluster for
>> use in AMBER?
>>
>> Thanks,
>> Katie
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Cordiali saluti, Dr.Oteri Francesco
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 25 2012 - 08:30:03 PDT
