Hi Stefane,<br><br><div class="gmail_quote">On Jan 10, 2008 3:03 PM, ABEL Stephane 175950 <<a href="mailto:Stephane.ABEL@cea.fr">Stephane.ABEL@cea.fr</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi gromacs users<br><br>In previous message Mark Abraham. said me that do_dssp tools can be used only with a pdb file (thank to him ;))). I am newbie with gromacs (i came from the ORAC MD world), so i have two questions<br>
<br>1 °) Can do_dssp can be used with "only" one pdb file with some configurations (say 40000)</blockquote><div><br>Mark said that you could use do_dssp using a .pdb file as the reference structure rather than a .tpr file. Read the help: do_dssp -h
<br> <br>Tsjerk<br></div></div><br>-- <br>Tsjerk A. Wassenaar, Ph.D.<br>Junior UD (post-doc)<br>Biomolecular NMR, Bijvoet Center<br>Utrecht University<br>Padualaan 8 <br>3584 CH Utrecht<br>The Netherlands<br>P: +31-30-2539931
<br>F: +31-30-2537623