<div>as far as I know g_angle calculates the distribution of a dihedral angle. But I need the values of the dihedral (all the values from the trajectory).</div>
<div> </div>
<div>Thank you very much in advance!</div>
<div> </div>
<div>Yours Sincerely,</div>
<div>Nikaustr<br><br> </div>
<div><span class="gmail_quote">On 9/16/07, <b class="gmail_sendername">David van der Spoel</b> <<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Mykola Rozhok wrote:<br>> Hello!<br>><br>> I have a .pdb structure:<br>><br>> H2N-CH2-COOH<br>
><br>> H<br>> |<br>> H-N-C-C-O-H<br>> | | "<br>> H H O<br>><br>> and want to calculate 2 dihedral angles:<br>><br>> H-N-C-C<br>><br>> and<br>><br>> N-C-C-O
<br>><br>> I have a .trr file and a .tpr file. Can I calculate those two dihedrals<br>> as a function of time using GROMACS?<br>><br>g_angle -h<br><br>> Thank you very much in advance!<br>><br>> Yours Sincerely,
<br>> Nikaustr<br>><br>><br>> ------------------------------------------------------------------------<br>><br>> _______________________________________________<br>> gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">
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<br>Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.<br><a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a> <a href="mailto:spoel@gromacs.org">spoel@gromacs.org</a> <a href="http://folding.bmc.uu.se">
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