<DIV>Dear users,</DIV>
<DIV> I use the Cationic Dummy Atom methods by Pang to simulate a protein containing Zn2+. How to get the parameters in [ virtual_sites? ] section? I use the model 4fd.</DIV>
<DIV> In the following example, how to get the value of parameters a, b and d?
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-layout-grid-align: none" align="left"><SPAN lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: NimbusMonL-Regu; mso-bidi-font-family: NimbusMonL-Regu; mso-font-kerning: 0pt"><FONT face="Times New Roman"> [ virtual sites4 ]<o:p></o:p></FONT></SPAN></P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-layout-grid-align: none" align="left"><SPAN lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: NimbusMonL-Regu; mso-bidi-font-family: NimbusMonL-Regu; mso-font-kerning: 0pt"><FONT face="Times New Roman"> ; Site from funct a b d<o:p></o:p></FONT></SPAN></P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-layout-grid-align: none" align="left"><SPAN lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: NimbusMonL-Regu; mso-bidi-font-family: NimbusMonL-Regu; mso-font-kerning: 0pt"><FONT face="Times New Roman"> 5 1 2 3 4 1 0.33333 0.33333 -0.105</FONT></SPAN></P>
<P class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-layout-grid-align: none" align="left"><SPAN lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: NimbusMonL-Regu; mso-bidi-font-family: NimbusMonL-Regu; mso-font-kerning: 0pt"><FONT face="Times New Roman"> Thanks in advance!</FONT></SPAN></P></DIV>
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