<div>i think you should modify force field if GROMACS's force field parameters are gotten from condensed matter with relativly high density ,when your simultaion is on gas phase. so you should check GROMACS's force field files in top directory first. </div>
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<div>just a suggestion , i am also new to GROMACS simulation . if you use force field parameters from high density state, obviously it is not physically reasonable . </div>
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<div><span class="gmail_quote">2008/7/4, Chih-Ying Lin <<a href="mailto:chihying2008@gmail.com">chihying2008@gmail.com</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi<br>to simulate the gas phase system, before running MD on the gas phase system<br><br>I have to use the "editconf" command.<br>
But, I DO NOT use "genbox" command.<br><br>Right??<br><br>thanks<br>Lin<br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
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