<br>Hi Institute of Biochemistry and Biophysics (or can I say IBB? :) ),<br><br><div><span class="gmail_quote">On 2/23/06, <b class="gmail_sendername">Mahnam</b> <<a href="mailto:mahnam@ibb.ut.ac.ir">mahnam@ibb.ut.ac.ir
</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div><br>In the name of God</div>
<div>Hello gmx users :</div>
<div>I want to do energy minimization in vacuo .Must I select ffG43b1 and
emtol for cg lesser of emtol for steep similar to " <font face="TimesNewRoman,Bold" size="5"><font size="2">GROMACS Tutorial for Drug –
Enzyme Complex ".?</font></font></div></blockquote><div><br>If you're going to do a simulation afterwards in solution, don't bother. ffG43b1 is for running simulations in vacuum, energy minimization is just to get rid of these bad contacts in the structure.
<br></div><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div>Thank you very much in advance<br>Institute of
Biochemistry and Biophysics (IBB)<br>Tehran University <br>
P.O.box 1417614411<br>Tehran <br>Iran <br></div></blockquote></div><br>And talking about nettiquette.., please sign your posts. That way, we know just that bit more about who we're dealing with and how to address you.<br>
<br>Cheers,<br><br>Tsjerk<br clear="all"><br>-- <br><br>Tsjerk A. Wassenaar, M.Sc.<br>Groningen Biomolecular Sciences and Biotechnology Institute (GBB)<br>Dept. of Biophysical Chemistry<br>University of Groningen<br>Nijenborgh 4
<br>9747AG Groningen, The Netherlands<br>+31 50 363 4336<br>