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<DIV>Hi all,</DIV>
<DIV> </DIV>
<DIV>I simulated the water/air system and calculated the surface
tension of water by using g_energy. The following is the result:<BR></DIV>
<DIV><BR>Statistics over 500001 steps [ 1000.0001 thru 2000.0001 ps ], 1
data sets<BR>All averages are exact over 500001 steps</DIV>
<DIV>
Energy
Average RMSD
Fluct. Drift Tot-Drift<BR>
-------------------------------------------------------------------------------<BR>
#Surf*SurfTen
1417.01 1894.45 1893.74
-0.179542 -179.543<BR>Executing 'xmgrace -nxy
surface-tension.xvg &'</DIV>
<DIV> </DIV>
<DIV>From the result, I can obtain the water surface tension is
141.7/2=70.85 mN/m. But I want to know the error range of surface tension I
calculated. Can you help me? For example in one paper, the simulated
water surface tension is 70.94<SPAN lang=EN-US style="FONT-SIZE:
10.5pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: ??;
mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language:
ZH-CN; mso-bidi-language: AR-SA">±2.25 mN/m. Can you tell
me how to obtain the error range (as <SPAN lang=EN-US style="FONT-SIZE:
10.5pt; FONT-FAMILY: 'Times New Roman'; mso-fareast-font-family: ??;
mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language:
ZH-CN; mso-bidi-language: AR-SA">±2.25) in the gromacs? Thank you very
much!</SPAN></SPAN></DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New
Roman'; mso-fareast-font-family: ??; mso-font-kerning: 1.0pt;
mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language:
AR-SA"><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New
Roman'; mso-fareast-font-family: ??; mso-font-kerning: 1.0pt;
mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language:
AR-SA"></SPAN></SPAN> </DIV>
<DIV><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New
Roman'; mso-fareast-font-family: ??; mso-font-kerning: 1.0pt;
mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language:
AR-SA"><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New
Roman'; mso-fareast-font-family: ??; mso-font-kerning: 1.0pt;
mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language:
AR-SA">H. Y. Xiao</SPAN></SPAN></DIV></FONT>
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