Hello All,
I am working with a glycopeptide. And during the simulation the bond
between the threonine and sugar was seen to be broken. I realised that there
was no bond present right from the beginning. I tried to use leap and
command BOND to create a bond. But it gave me following error :
>bond y.11.11 y.20.2
Bond: Maximum coordination exceeded on .R<3VA 20>.A<H1 2>
-- setting atoms pert=true overrides default limits
What Should I do else to solve the problem.
Thanking you !!
--
Deepti Lele,
NII, New Delhi.
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Received on Sun Aug 17 2008 - 06:07:07 PDT
