Dear pancham lal gupta,
> 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?
It is likely you will have to create your own atom type and three letter code.
regards, Francois
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 03 2011 - 05:00:03 PDT