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<div class="gmail_quote">On Fri, Jan 21, 2011 at 3:32 AM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br>
<blockquote style="BORDER-LEFT: #ccc 1px solid; MARGIN: 0px 0px 0px 0.8ex; PADDING-LEFT: 1ex" class="gmail_quote">
<div class="im"><br><br>bharat gupta wrote:<br>
<blockquote style="BORDER-LEFT: #ccc 1px solid; MARGIN: 0px 0px 0px 0.8ex; PADDING-LEFT: 1ex" class="gmail_quote"><br><br>I want to calculate the rmsd of amino acid 65 to 67 of two simulated proteins with loop replacement in another one to find out how the position of these 3 amino acids change due to the replacement of a loop region in same protein ... How can I achieve it with gromacs...<br>
<br></blockquote><br></div>Use g_rms with a suitable index group.<br><br>-Justin<br><br>
<blockquote style="BORDER-LEFT: #ccc 1px solid; MARGIN: 0px 0px 0px 0.8ex; PADDING-LEFT: 1ex" class="gmail_quote">
<div class="im">-- <br>Bharat<br>Ph.D. Candidate<br>Room No. : 7202A, 2nd Floor<br>Biomolecular Engineering Laboratory<br>Division of Chemical Engineering and Polymer Science<br>Pusan National University<br>Busan -609735<br>
South Korea<br>Lab phone no. - +82-51-510-3680, +82-51-583-8343<br>Mobile no. - 010-5818-3680<br></div>E-mail : <a href="mailto:monu46010@yahoo.com" target="_blank">monu46010@yahoo.com</a> <mailto:<a href="mailto:monu46010@yahoo.com" target="_blank">monu46010@yahoo.com</a>>
<div class="im"><br><br><br><br><br>-- <br>Bharat<br>Ph.D. Candidate<br>Room No. : 7202A, 2nd Floor<br>Biomolecular Engineering Laboratory<br>Division of Chemical Engineering and Polymer Science<br>Pusan National University<br>
Busan -609735<br>South Korea<br>Lab phone no. - +82-51-510-3680, +82-51-583-8343<br>Mobile no. - 010-5818-3680<br></div>E-mail : <a href="mailto:monu46010@yahoo.com" target="_blank">monu46010@yahoo.com</a> <mailto:<a href="mailto:monu46010@yahoo.com" target="_blank">monu46010@yahoo.com</a>><br>
<br></blockquote><br>-- <br>========================================<br><br>Justin A. Lemkul<br>Ph.D. Candidate<br>ICTAS Doctoral Scholar<br>MILES-IGERT Trainee<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu/" target="_blank">vt.edu</a> | (540) 231-9080<br><a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
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<div><br><br clear="all">I am not able to search some relevant document about creating index group fro g_rms ... I found one i gromacs website <a href="http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive">http://www.gromacs.org/Documentation/How-tos/Making_Commands_Non-Interactive</a> but this link doesnot explain much about it ... can u pls guide me to some relevant link ??</div>
<div> </div>
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<div>I am stating my question here again : I want to calculate the rmsd of amino acid 65 to 67 of two simulated proteins with loop replacement in another one to find out how the position of these 3 amino acids change due to the replacement of a loop region in same protein ... How can I achieve it with gromacs...</div>
<div> </div>
<div><br>-- <br>Bharat<br>Ph.D. Candidate<br>Room No. : 7202A, 2nd Floor<br>Biomolecular Engineering Laboratory<br>Division of Chemical Engineering and Polymer Science<br>Pusan National University<br>Busan -609735<br>South Korea<br>
Lab phone no. - +82-51-510-3680, +82-51-583-8343</div>
<div>Mobile no. - 010-5818-3680<br>E-mail : <a href="mailto:monu46010@yahoo.com" target="_blank">monu46010@yahoo.com</a></div><br>