Dear Berk,<div><br></div><div>I beg your pardon, but I have to assume that what you wrote below is not correct so, right?</div><div><br></div><div>Should it be 'ligand.rtp' instead of 'ligand.itp'?</div><div>
<br></div><div>Once I have my hands on this new pdb2gmx, I believe I can tweak acpypi to generate rtp files as well (but hdb and else probably not).</div><div><br></div><div>Cheers,</div><div>Alan<br><br><div class="gmail_quote">
On Fri, Jan 29, 2010 at 11:00, <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=":3p4" class="ii gt">> of them. So you can just put, e.g., a file called ligand.itp in your force<br>
> field or current dir and pdb2gmx<br>
> will read it.<br></div></blockquote></div><br><br clear="all"><br>-- <br>Alan Wilter Sousa da Silva, D.Sc.<br>PDBe group, PiMS project <a href="http://www.pims-lims.org/">http://www.pims-lims.org/</a><br>EMBL - EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK<br>
+44 (0)1223 492 583 (office)<br>
</div>