CYM is the deprotonated Cysteine. CYS is protonated. However, Francois is
probably right in that you'll have to reparametrize the whole residue
(charge and parameter derivation).
HTH,
Jason
On Mon, Oct 3, 2011 at 6:39 AM, pancham lal gupta <panchamlalgupta.gmail.com
> wrote:
> Hi......
> in cytochrome P-450 ,heme is bounded to cysteine,there is iron sulphur bond
> after running tleap , i get hydrogen added sulphur which should be
> deprotonated,
>
> what is the atom type of sulphur in heme cysteine bound system?
> what is the three letter code of such cysteine?
>
>
>
>
> pancham lal
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Oct 03 2011 - 07:00:02 PDT
