[gmx-developers] (no subject)

[Vibin R]

Hi
	While doing simulated annealing a considerable percentage of the
structures recovered after cooling is found to be having cis amides, with
omega angle close to zero value. Can I some artificial means increase the
value of the force constant, so that the planarity of the amide bond is
maintained even at higher temperatures. If yes, I guess i may have to make
changes in ffG43a1bon.itp file. But where exactly should i change and to
what extent is permissible. 

Expecting your kind attention
                                        
 affly
 Vibin                                                                      
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 Vibin Ramakrishnan         	
 De novo design lab
 School of Biosciences and Bioengineering
 IIT Bombay                          	
 Powai,Mumbai-400076		
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