Dear all,
When we do a MD simulation, we always set a cutoff
of non-bonded interactions, e.g. r=1.2 nm. When the
simulation finished, we can use the command
g_energy -f ener.edr -s ... to abtain the non-boned
energy of the system. My question is whether the non-bonded
energy values dependent on the non-bonded cutoff? If YES,
there may be no problem of the vdw interaction (LJ-SR),
because the vdw interaction vanish in a short distance. But
how about the electrostatic term with the distance dependence
of 1/r^2 ?
Best regards,
=========================================
Dechang Li, Ph.D Candidate
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
P.R. China
Tel: +86-10-62773574(O)
Email: lidc02 at mails.tsinghua.edu.cn
=========================================
_______________________________________________
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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
