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<DIV><FONT face="Times New Roman">Dear&nbsp;All:</FONT></DIV>

<DIV><FONT 

face="Times New Roman">I&nbsp;have&nbsp;found&nbsp;one&nbsp;problem&nbsp;when&nbsp;I&nbsp;used&nbsp;the&nbsp;constrained&nbsp;MD&nbsp;method&nbsp;in&nbsp;CPMD.&nbsp;</FONT></DIV>

<DIV><FONT 

face="Times New Roman">My&nbsp;calculated&nbsp;system&nbsp;contain&nbsp;one&nbsp;ammonium&nbsp;and&nbsp;one&nbsp;benzene,&nbsp;and&nbsp;I&nbsp;attempted&nbsp;</FONT></DIV>

<DIV><FONT 

face="Times New Roman">to&nbsp;use&nbsp;the&nbsp;&nbsp;distance&nbsp;of&nbsp;nitrogen&nbsp;and&nbsp;benzene&nbsp;as&nbsp;my&nbsp;reaction&nbsp;coordinate.&nbsp;However,&nbsp;</FONT></DIV>

<DIV><FONT 

face="Times New Roman">I&nbsp;have&nbsp;noticed&nbsp;the&nbsp;version&nbsp;3.7&nbsp;or&nbsp;the&nbsp;higher&nbsp;version&nbsp;occur&nbsp;in&nbsp;error&nbsp;message,&nbsp;while&nbsp;</FONT></DIV>

<DIV><FONT 

face="Times New Roman">the&nbsp;3.5&nbsp;version&nbsp;can&nbsp;deal&nbsp;such&nbsp;question.&nbsp;Because&nbsp;my&nbsp;calculation&nbsp;is&nbsp;based&nbsp;on&nbsp;3.7&nbsp;</FONT></DIV>

<DIV><FONT 

face="Times New Roman">version,&nbsp;so&nbsp;I&nbsp;wonder&nbsp;if&nbsp;you&nbsp;can&nbsp;tell&nbsp;me&nbsp;how&nbsp;to&nbsp;modify&nbsp;it&nbsp;or&nbsp;which&nbsp;code&nbsp;should&nbsp;</FONT></DIV>

<DIV><FONT 

face="Times New Roman">be&nbsp;replace&nbsp;by&nbsp;original&nbsp;3.5&nbsp;code?</FONT></DIV>

<DIV><FONT face="Times New Roman">Thank&nbsp;you!</FONT></DIV>

<DIV><FONT face="Times New Roman">Sincerely,</FONT></DIV>

<DIV><FONT face="Times New Roman">Rongjian&nbsp;</FONT></DIV></BODY></HTML>