Respected Marc Sir,<br><br>Thanks for your information.<br><br>Thanking you,<br>Pawan<br><br><div class="gmail_quote">On Tue, Mar 31, 2009 at 5:31 PM, Marc F. Lensink <span dir="ltr"><<a href="mailto:lensink@bigre.ulb.ac.be">lensink@bigre.ulb.ac.be</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;"><div class="im">On Tue, Mar 31, 2009 at 07:23:57AM -0400, Justin A. Lemkul wrote:<br>
><br>
> Force fields have to be internally self-consistent, so using the parameters<br>
> from OPLS with Berger lipids will give spurious results. The only proper<br>
> combinations are Gromos/Berger or OPLS/converted Berger.<br>
<br>
</div>as long as one takes care of what one's doing, including proper<br>
validation, it's okay. there is no one and unique lipid force field.<br>
berger parameters are directly derived from opls (see berger et al,<br>
biophys. j. 72 (1997), 2002). they use the gromos combination rules<br>
but reduce the non-bonded 1,4 LJ by a factor of 8. in any case,<br>
whatever you do, validation of the results is essential. see also:<br>
<a href="http://pubs.acs.org/doi/abs/10.1021/la804150p" target="_blank">http://pubs.acs.org/doi/abs/10.1021/la804150p</a><br>
<br>
cheers,<br>
marc<br>
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