From: Parisa Akhski (Parisa.Akhshi_at_chem.queensu.ca)
Date: Tue Jul 27 2010 - 16:31:03 CDT
I am doing the minimization on a DNA system. I know that there is no need to define the temperature in the configuration file for minimization since minimization is basically taking the system to 0 K. However, I am not sure whether I need to define the pressure before running the minimization? I can see in my output file the pressure has been reported and has got negative values while I did not define pressure in the configuration file. It changes between -500 to -2000 at the beginning and gets constant at -300 finally.
I really appreciate your help in advance,
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