[EMAIL PROTECTED] wrote: > Hello, all GMX group and users, > I'm axially compressing a Carbon Nanotube (CNT) with GMX, using AFM-Pull. > Many referrences say the Brenner-Tersoff potential is employed to > simulate the bonds and angles in CNT. > I wonder whether it could be used in GMX and HOW. Has anyone tried that? > Greatly appreciated to any suggestions. > thankfully, Jacky Allon > What does it look like? Have you checked which bonded potentials are available in GROMACS?
-- 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
