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<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US>Thank you for
your comments.<SPAN style="mso-spacerun: yes"> </SPAN>I’m using
<SPAN style="mso-spacerun: yes"> </SPAN>center of mass motion removal for
each lipid (PE PS PC) and for solvent. I guess it should remove VCM of these
groups, is there anything else I could do? <SPAN
style="mso-spacerun: yes"> </SPAN></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US><?xml:namespace
prefix = o ns = "urn:schemas-microsoft-com:office:office"
/><o:p> </o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN
lang=EN-US><o:p> </o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN
lang=EN-US><o:p></o:p></SPAN></P><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>>><I> ; Groups for center of mass motion removal</I></FONT></SPAN></PRE><PRE><FONT size=2><SPAN lang=EN-US style="mso-ansi-language: EN-US">>><I> comm-grps<SPAN style="mso-spacerun: yes"> </SPAN>= </I></SPAN><?xml:namespace prefix = st1 ns = "urn:schemas-microsoft-com:office:smarttags" /><st1:place><st1:City><I><SPAN lang=EN-US style="mso-ansi-language: EN-US">PC</SPAN></I></st1:City><I><SPAN lang=EN-US style="mso-ansi-language: EN-US"><SPAN style="mso-spacerun: yes"> </SPAN></SPAN></I><st1:State><I><SPAN lang=EN-US style="mso-ansi-language: EN-US">PE</SPAN></I></st1:State></st1:place><I><SPAN lang=EN-US style="mso-ansi-language: EN-US"> PS<SPAN style="mso-spacerun: yes"> </SPAN>SOL Na</SPAN></I></FONT></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>>><I> ; Mode for center of mass motion removal</I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>>><I> comm-mode<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>Linear</I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>>><I> ; Center of mass control</I></FONT></SPAN></PRE><PRE><FONT size=2>>> nstcomm<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>1</FONT></PRE><PRE><o:p><FONT size=2> </FONT></o:p></PRE><PRE><o:p><FONT size=2> </FONT></o:p></PRE>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN
lang=EN-US><o:p> </o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US>How can I couple
the membrane and the solvent separately?<o:p></o:p></SPAN></P><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><o:p><FONT size=2> </FONT></o:p></SPAN></PRE><PRE><I><SPAN lang=EN-US style="mso-ansi-language: EN-US"><o:p><FONT size=2> </FONT></o:p></SPAN></I></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> ; Berendsen temperature coupling is on in two groups<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> Tcoupl<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>berendsen<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> tc-grps<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>PC<SPAN style="mso-spacerun: yes"> </SPAN>PE PS<SPAN style="mso-spacerun: yes"> </SPAN>SOL Na<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=DE style="mso-ansi-language: DE"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=DE style="mso-ansi-language: DE"><FONT size=2>><I> tau_t<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>0.1<SPAN style="mso-spacerun: yes"> </SPAN>0.1<SPAN style="mso-spacerun: yes"> </SPAN>0.1<SPAN style="mso-spacerun: yes"> </SPAN>0.1 0.1<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=DE style="mso-ansi-language: DE"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=DE style="mso-ansi-language: DE"><FONT size=2>><I> ref_t<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>310 310 310 310 310<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=DE style="mso-ansi-language: DE"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=DE style="mso-ansi-language: DE"><FONT size=2>><I> ; Energy monitoring<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> energygrps<SPAN style="mso-spacerun: yes"> </SPAN>= PC<SPAN style="mso-spacerun: yes"> </SPAN>PE PS<SPAN style="mso-spacerun: yes"> </SPAN>SOL Na<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> ; Isotropic pressure coupling is now on<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> Pcoupl<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>berendsen<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> Pcoupltype<SPAN style="mso-spacerun: yes"> </SPAN>= semiisotropic<o:p></o:p></I></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2></FONT></SPAN></PRE><PRE><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>><I> tau_p<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>20<SPAN style="mso-spacerun: yes"> </SPAN>20</I></FONT></SPAN></PRE><PRE><FONT size=2>><I> compressibility<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>4.5e-5<SPAN style="mso-spacerun: yes"> </SPAN>4.5e-5</I></FONT></PRE><PRE><FONT size=2>><I> ref_p<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>1.0<SPAN style="mso-spacerun: yes"> </SPAN>1.0</I></FONT></PRE><PRE><I><SPAN lang=EN-US style="mso-ansi-language: EN-US"><o:p><FONT size=2> </FONT></o:p></SPAN></I></PRE><PRE><I><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT size=2>Thank you for help!<o:p></o:p></FONT></SPAN></I></PRE></DIV></BODY></HTML>