On Oct 17, 2012, at 10:02 AM, "Mu Xia" <muxiachuixue.163.com> wrote:
> Hi David,
>
> Thanks for your reply.
>
> As you know, quercetin has A, B and C ring. For example, if I want the three rings to be plane or the dihedral angle of CA-CB-CC-CD to be near 180 degree during the MD,
> how should I fix the parameters? Modify the .frcmod file or something else?
Modify the frcmod file.
HTH,
Jason
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Oct 17 2012 - 09:00:04 PDT
