Hi, For some reasons, I want to try to simulate a nanotube not as an ordinary molecule (with intramolecular potentials, etc) but as a group of sternly fixed single carbon atoms (also energygrp_excl = UNK UNK).
In topology: ; carbon positio restraint [ position_restraints ] 1 1 1000 1000 1000 But it gives me segmentation fault. Why? I use energygrp_excl, will it not exclude the interactions among carbons? Is it possible to make what I want with gromacs? All the above was tested on gmx-3.3.1. Thanks for your suggestions. Vitaly -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban tel.: +38-097-8259698 _______________________________________________ gmx-users mailing list [email protected] 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
