AMBER: Querry

From: dipti lele <>
Date: Wed, 13 Aug 2008 21:15:11 +0900

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.
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
Received on Sun Aug 17 2008 - 06:07:07 PDT
Custom Search