On Mon, Mar 14, 2016 at 12:19 PM, Balaji Selvam <bselvam01.gmail.com> wrote:
> setBond :640.OG1 :640.HG1 100 0.96
These are not valid Amber masks. The symbol for atom is '.', not '.'.
":640.OG1" etc will work. You may want to review Amber mask syntax;
see sections 20.1 or 29.1.6 in the Amber15 manual.
-Dan
>
> outparm test.prmtop test01.rst
>
>
> 640 is the residue number, 100 is the force constant and 0.96 is the actual
> bond length.
>
>
> I am not changing the bond just trying the fix the actual bond length using
> parmed.
>
>
> However, the script shows error as "AmberMask: Unrecognized symbol in
> residue name parsing".
>
>
> Kindly advice.
>
>
> Many Thanks
>
> Balaji
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
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Received on Mon Mar 14 2016 - 12:00:03 PDT
