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<DIV><FONT face=Arial color=#000000 size=2>Dear Gromacs users,</FONT></DIV>
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<DIV><FONT face=Arial size=2>How can we know that the system is properly equilibrated or whether we should extend the equilibration step. Someone suggest that we look at the potential energy to see whether it has converged? Is it correct?</FONT></DIV>
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<DIV><FONT face=Arial size=2>One more question, normally, we carry out the equilibration at 300K, don't we? How can we know that this temperature is enough and the system is not kinetically trapped in a local minimum? And if it is whether it affects the production run later on?</FONT><FONT face=Arial size=2> </FONT></DIV>
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<DIV><FONT face=Arial size=2>Please give me some advice on these. Thank you very much.</FONT></DIV>
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<DIV><FONT face=Arial size=2>Best regards,</FONT></DIV>
<DIV><FONT face=Arial size=2>Cong Tri</FONT></DIV></BODY></HTML>