[gmx-users] Energy Minimization Problems

[Gaurav Porwal]

Hi,

Sometimes during an energy minimization using "steep" for a random
conformation, the Potential Energy suddenly goes down to the order of
-1.00e+16 and force becomes "inf".

Is this due to some kind of knot formation / cross over of loops? I can't
find any knots as such in the structure being energy minimized.

Kindly help.

Regards,
Gaurav

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Luck favours those who don't believe in it.	
                                                          -- Anonymous
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                           Gaurav Porwal
		    Senior Undergraduate Student
 		  Department of Chemical Engineering
                         IIT Bombay, Powai
                          Mumbai - 400076
                              INDIA   
                          Ph. - 9869277620

Alternative Email :-
gaurav.porwal at iitbombay.org

Y! messenger id - porwal_gaurav

URL - http://homepages.iitb.ac.in/~porwal
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