HEME is in the charmm27 force field.
bob h.
On 1/5/2012 12:00 PM, Dariush Mohammadyani wrote:
Yes, I have PDB file (1HRC.pdb). However, when I try to use "pdb2gmx"
I get this error:
Residue 'HEM' not found in residue topology database
and HEM is Iron ion inside this protein. I do not know which
forcefield is proper to use. I also tried MARTINI force field
according their website; I used martinize.py script; Again I got error.
Regards,
Dariush
On Thu, Jan 5, 2012 at 11:51 AM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
Dariush Mohammadyani wrote:
Hi all,
Has anybody made initial configuration for Cytochrom C? Can it
be shared with me?
There are several in the PDB.
-Justin
--
========================================
Justin A. Lemkul
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Virginia Tech
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jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
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http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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