[gmx-users] position restraint and segmentation fault
vvchaban at gmail.com
Mon Oct 13 19:43:59 CEST 2008
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).
; 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
Thanks for your suggestions.
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
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