[gmx-users] including non standard amino acid CSD in topology file
ashu4487 at gmail.com
Mon Mar 21 13:06:26 CET 2011
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).
On Thu, Mar 17, 2011 at 8:37 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> ashutosh srivastava wrote:
>> 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?
> 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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