<br><br><div class="gmail_quote">On Fri, Apr 24, 2009 at 4:13 PM, nitu sharma <span dir="ltr"><<a href="mailto:sharmanitu35@gmail.com">sharmanitu35@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear Mark<br><br> After doing second step of inflategro i.e compression step when I did the enery minimisation with nstep-10000 in parameter file it terminated after 1547 steps and written that -<br>Converged to machine precision,<br>
but not to the requested precision Fmax < 2000<br><br>Double precision normally gives you higher accuracy.<br><br>writing lowest energy coordinates.<br><br>Steepest Descents converged to machine precision in 1547 steps,<br>
but did not reach the requested Fmax < 2000.<br>Potential Energy = 6.2109662e+05<br>Maximum force = 2.1254887e+04 on atom 6781<br>Norm of force = 7.1093488e+02<br><br>Can u suggest me probable solution of this problem .I am unable to understand why this problem comes?</blockquote>
<div><br>its because of clashes between the protein and the lipid molecules.....<br> <br></div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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<br>Thanks a lot<br><font color="#888888">Nitu Sharma<br>Structural biology lab<br>School of life Sciences<br>Jawaherlal Nehru University<br>
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