Thank you very much David.<br><br>Ram.<br><br><div class="gmail_quote">On Sat, Jan 24, 2009 at 3:36 PM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</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><div></div><div class="Wj3C7c">rams rams wrote:<br>
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Dear users,<br>
In the gmx manual it is mentioned that we can carry out the md simulations under electic fields (static I suppose). In the description under the title Electric Fields, it was described that number of cosines implemented is 1. What exactly it mean ?? The frequency is also 0. Does it mean that the only term implemented is the cos(theta) term ?<br>
The way I understand is the following:<br>
When we apply the static electric field, the molecular dipolemoment interacts with the applied electric filed strength. Lets say "mu" and "E" respectively. Now the interaction term is "mu. E cos(theta)". From the description what I understand is that "theta" is always zero here and no other higher order interactions such as polarizability etc are implemented. Please correct me if I am wrong.<br>
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See Angew. Chem. Intl. Ed. 47 pp. 1417-1420 (2008)<br>
You can do pulsed, alternating and static e fields.<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Ram. <br>
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<br>
-- <br>
David van der Spoel, Ph.D., Professor of Biology<br>
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.<br>
<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a> <a href="mailto:spoel@gromacs.org" target="_blank">spoel@gromacs.org</a> <a href="http://folding.bmc.uu.se" target="_blank">http://folding.bmc.uu.se</a><br>
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