Hi Lanyuan Lu, It's described in detail in Chapter 2 of Henk Bekkers PhD thesis, available at: http://dissertations.ub.rug.nl/faculties/science/1996/h.bekker/
Cheers, Tsjerk 2009/8/12 LuLanyuan <[email protected]>: > Hello all, > I got a question when I read the the manual chapter for the single sum > virial (p195-196). In eq (B.3) we have r_ij_n=r_i+delta_i-r_j. Shouldn't > delta here also depend on index j? I think delta is zero when particle i and > j are close. And delta can be something else when any x/y/z component of > r_i-r_j is larger than half box length. But from eq (B.5) to (B.11) it seems > delta_i only depends on index i and I got confused. > Could anyone explain it to me? > Thanks very much! > Lanyuan Lu > > ________________________________ > 使用新一代 Windows Live Messenger 轻松交流和共享！ 立刻下载！ > _______________________________________________ > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > 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 > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
