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<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT size=3><FONT color=#000000><FONT face="Times New Roman">Hello,<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></FONT></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT size=3><FONT color=#000000><FONT face="Times New Roman">I am new in Gromacs, and I am trying to simulate the interaction between a DOPC membrane and a protein.<o:p></o:p></FONT></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT size=3><FONT color=#000000><FONT face="Times New Roman">I have equilibrated my system at constant volume and now I would like to switch to constant pressure.<o:p></o:p></FONT></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT size=3><FONT color=#000000><FONT face="Times New Roman">I think the best option for me is to use ANISOTROPIC pressure, because I want to study the ondulations produced in the membrane due to the protein. Do you recommend anisotropic pressure for this? or semiisotropic would be enough?</FONT></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT size=3><FONT color=#000000><FONT face="Times New Roman">Another question is about the values of tau_p and ref_p. I have read in the manual that in the case of anisotropic pressure I should use 6 values. Which values do you recommend to use? Should I use also 6 values for compressibility and ref_p?<o:p></o:p></FONT></FONT></FONT></SPAN></P><PRE><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><o:p><FONT color=#000000> </FONT></o:p></SPAN></PRE><PRE><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT color=#000000>Pcoupl<SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>= Berendsen<o:p></o:p></FONT></SPAN></PRE><PRE><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT color=#000000>Pcoupltype<SPAN style="mso-spacerun: yes"> </SPAN>= anisotropic<o:p></o:p></FONT></SPAN></PRE><PRE><SPAN lang=PT-BR style="mso-ansi-language: PT-BR"><FONT color=#000000>tau_p<SPAN style="mso-spacerun: yes"> </SPAN>= <SPAN style="mso-spacerun: yes"> </SPAN>2.0 2.0<SPAN style="mso-spacerun: yes"> </SPAN>2.0<SPAN style="mso-spacerun: yes"> </SPAN>2.0<SPAN style="mso-spacerun: yes"> </SPAN>2.0<SPAN style="mso-spacerun: yes"> </SPAN>2.0<SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></PRE><PRE><SPAN lang=PT-BR style="mso-ansi-language: PT-BR"><FONT color=#000000>compressibility<SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>4.5e-5 4.5e-5 4.5e-5 <SPAN style="mso-spacerun: yes"> </SPAN>4.5e-5 4.5e-5<SPAN style="mso-spacerun: yes"> </SPAN>4.5e-5<o:p></o:p></FONT></SPAN></PRE><PRE><SPAN lang=PT-BR style="mso-ansi-language: PT-BR"><FONT color=#000000>ref_p<SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>=<SPAN style="mso-spacerun: yes"> </SPAN>1.0<SPAN style="mso-spacerun: yes"> </SPAN>1.0<SPAN style="mso-spacerun: yes"> </SPAN>1.0<SPAN style="mso-spacerun: yes"> </SPAN>1.0<SPAN style="mso-spacerun: yes"> </SPAN>1.0<SPAN style="mso-spacerun: yes"> </SPAN>1.0<o:p></o:p></FONT></SPAN></PRE><PRE><SPAN lang=PT-BR style="mso-ansi-language: PT-BR"><o:p><FONT color=#000000> </FONT></o:p></SPAN></PRE><PRE><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT color=#000000>Thank you very much for your help in advance.<o:p></o:p></FONT></SPAN></PRE><PRE><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><o:p><FONT color=#000000> </FONT></o:p></SPAN></PRE><PRE><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><FONT color=#000000>Best wishes,<o:p></o:p></FONT></SPAN></PRE><PRE><SPAN lang=EN-GB style="mso-ansi-language: EN-GB"><o:p><FONT color=#000000> </FONT></o:p></SPAN></PRE><PRE><FONT color=#000000>Rebeca García Fandiño</FONT></PRE><PRE><FONT color=#000000>Parc Cientific de Barcelona</FONT></PRE><PRE><FONT color=#000000>regafan@hotmail.com</FONT></PRE><br /><hr />¡El Mundo Messenger te espera! Entra ya en "I love Messenger" y descubre las últimas novedades, trucos, emoticonos. <a href='http://www.vivelive.com/ilovemessenger/' target='_new'>Entra ya en "I love Messenger"</a></body>
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