<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><P class=MsoNormal style="MARGIN: 0in 0in 0pt; LINE-HEIGHT: normal"><SPAN style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: 'Times New Roman','serif'; mso-fareast-font-family: 'Times New Roman'">Dear user,<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt; LINE-HEIGHT: normal"><SPAN style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: 'Times New Roman','serif'; mso-fareast-font-family: 'Times New Roman'">During simulation I restart the Md run and know I have two .tpr file. Because my molecule split over boundary after 1 ns of simulation,I want to use “trjconv” as a command to center my molecule but I don’t know to chose my first tpr file( for the first 1ns) or the second one after restarting.<o:p></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt; LINE-HEIGHT: normal"><SPAN style="FONT-SIZE: 12pt; COLOR: black; FONT-FAMILY: 'Times New Roman','serif'; mso-fareast-font-family: 'Times New Roman'">Tanks<o:p></o:p></SPAN></P>
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