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<DIV><FONT face=Arial size=2>Hi, is my firt question in the list, i have a very
simple and posibly a very nonsense question.</FONT></DIV>
<DIV><FONT face=Arial size=2>do i have to use mdrun to performe a single point
calculation of a certain conformation? how? is there something to specify in
.mdp file?</FONT></DIV>
<DIV><FONT face=Arial size=2>Can some body provide me an example of how to use
ffscan? with a small molecule if it is possible...</FONT></DIV>
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<DIV><FONT face=Arial size=2>Best regards </FONT></DIV>
<DIV><FONT face=Arial size=2>reynier</FONT></DIV></BODY></HTML>