ashutosh srivastava wrote:
Thank You
However what i wanted to ask was about the parameters to be used. So it
would be helpful if someone could guide as to how can i get the
parameters that should be used for 3-sulfinoalanine (CSD).
http://www.gromacs.org/Documentation/How-tos/Parameterization
-Justin
Ashutosh
On Thu, Mar 17, 2011 at 8:37 PM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
ashutosh srivastava wrote:
hello
I am using OPLS AA FF and my protein contains a non standard
amino acid CSD for which the topology parameters are not present
. Can someone tell how to include CSD into topology file?
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
-Justin
ashu
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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Regards
Ashutosh Srivastava
--
========================================
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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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