[gmx-developers] inconsistent logfiles

[Vibin R]

Hi
	While doing energy minimisation with different initial structures,
I am getting different starting points (such as sometimes step0,
sometimes step1, step4 etc) both from energy trajectory and from the
logfile)
1. What could be the reason, why i am not getting step 0,1,2,...etc
consistently. What should i do for getting it?
2. Will it be meaningful if i assume that the step0 energy values which we
get from the logfile as the energy of the structure prior to energy
minimisation?
                                        
 Regards
 Vibin                                                                      
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 Vibin Ramakrishnan         	
 School of Biosciences and Bioengineering
 IIT Bombay                          	
 Powai,Mumbai-400076		
 Ph: 91-22-5722545; ext 8193
     91-22-5721010,5720106 
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