Thank you sir
On Mon, May 6, 2013 at 4:39 PM, Justin Lemkul jalem...@vt.edu wrote:
On 5/6/13 7:03 AM, Sathish Kumar wrote:
I want to do simulation of protein at pH 12, in this case experimentally
reported that the disulphide bonds of protein was broken and sulphurs
become S negative . Can you please tell me making of disulphide as S-
and
S- is it correct and how to set force field to this.
Some force fields (like the Amber parameter sets and some others) have the
CYM residue, which is the thiolate form of cysteine. Find which force
fields have this residue, read about their use, and make a choice based on
what you find.
-Justin
--
==**==
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justinhttp://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
==**==
--
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/**mailman/listinfo/gmx-usershttp://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at http://www.gromacs.org/**
Support/Mailing_Lists/Searchhttp://www.gromacs.org/Support/Mailing_Lists/Searchbefore
posting!
* Please don't post (un)subscribe requests to the list. Use the www
interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read
http://www.gromacs.org/**Support/Mailing_Listshttp://www.gromacs.org/Support/Mailing_Lists
--
regards
M.SathishKumar
--
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
