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<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>I am a gromacs-user-want-to-be. The kind of simulations that
I am interested in is what is called ‘stochastic boundary MD’ in
the CHARMM lingo, where you don’t have to use periodic boundary
conditions. I wonder if it is possible to use GROMACS for such calculations. I
would greatly appreciate if someone can provide any helpful pointers. A search
of the archive didn’t show anything useful.</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Thanks in advance,</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Dam</span></font></p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>-------------------------------------------</span></font></p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>Komath Damodaran</span></font></p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>Scientist, Computational Chemistry</span></font></p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>Telik, Inc.</span></font></p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>3165 Porter Drive</span></font></p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>Palo Alto</span></font>, CA 94304</p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>Tel: (650) 845-7838, Fax: 650-845-7800</span></font></p>
<p class=MsoPlainText><font size=2 face="Courier New"><span style='font-size:
10.0pt'>===========================================</span></font></p>
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10.0pt'>============================================</span></font></p>
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