Dear David, Thanks for your reply and your suggestion is helping me. By, B.Nataraj
On Mon, 06 Nov 2006 09:12:32 +0100, "David van der Spoel" <[EMAIL PROTECTED]> said: > raja wrote: > > Dear gmxions, > > The protein, which I am going to simulate, is a dimer, but my study > > through MD is not related of dimer interaction but its catalytic > > activity. So my question is can I simulate a unit of the dimer? Will > > that system be physically right to simulate? The individual unit of the > > dimer is performing the same catalytic activity but act individually. > > Your thought for this question would be very useful for me. > > > > With thanks! > > B.Nataraj > It depends, the dimer may give stability that is necessary for > catalysis. To be on the safe side use the dimer. It will also give you > twice the statistics for your analysis. If you'd use the monomer a > referee will ask you whether that is justified as well. > > -- > David. > ________________________________________________________________________ > David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: 46 18 471 4205 fax: 46 18 511 755 > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - Does exactly what it says on the tin _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
