[gmx-users] Cytochrom C
d.mohammadyani at gmail.com
Thu Jan 5 19:00:39 CET 2012
Yes, I have PDB file (1HRC.pdb). However, when I try to use "pdb2gmx" I get
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.
On Thu, Jan 5, 2012 at 11:51 AM, Justin A. Lemkul <jalemkul at 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 A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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