Quoting pragya chohan <[EMAIL PROTECTED]>: > > hi > please refer to my mail > http://www.gromacs.org/pipermail/gmx-users/2008-March/033024.html I posted a > question regarding taup_p to be used with anisotropic coupling. > As qoted "A reasonable choice for relaxation time would be 100 fs. The > compressibility and the relaxation time appear only as a ratio in the > dynamics, so a larger compressibility is equivalent to a smaller relaxation > time." > I want to ask if we can give the value of tau_p 0.0 for diagonal elements > while specifying for anisotropic coupling. > Both tau_p 0.0 as well as 1.0 continue to run.
tau_p takes only one value. -Justin > > Any comments would be appreciated > > Cheers > Pragya Chohan > _________________________________________________________________ > Fashion Channel : Want to know whatÂ’s the latest in the fashion world ? You > have it all here on MSN Fashion. > http://lifestyle.in.msn.com/_______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.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 > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
