Dear Oliver,<br><br><div class="gmail_quote">On Thu, May 20, 2010 at 13:21, <span dir="ltr"><<a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div id=":42x" class="ii gt">I'm using GLYCAM06, so it involves a bit more effort to generate a .top and<br>
.gro file than just using pdb2gmx but I thought I'd leave it out as I just<br>
wanted to explain the method I use to include it. Apologies for the<br>
confusion!<br></div></blockquote></div><br>If you are familiar to ambertools (tleap mainly), so you can create your molecule there, save the amber parameters and use acpype to convert from amber to gromacs format.<div><br>
</div><div>Alan<br clear="all"><br>-- <br>Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate<br>Department of Biochemistry, University of Cambridge. <br>80 Tennis Court Road, Cambridge CB2 1GA, UK.<br>>><a href="http://www.bio.cam.ac.uk/~awd28">http://www.bio.cam.ac.uk/~awd28</a><<<br>
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