Please keep all correspondence on the gmx-users list. I do not advertise myself
as a private tutor :)
Shankar Prasad Kanaujia wrote:
Dear Justin,
I have done simulation of protein-ligand complex using gromacs v3.3.3.
The g_energy gives LJ-14, Coulomb-14, LJ-SR, Coulomb-SR energies,
however, it does not give LJ-LR and Coulomb-LR energy.
what could be the reason ?
It would be useful if you posted your .mdp file. Without it, I can only guess
why the LJ-LR term is missing. There is no such term Coulomb-LR.
-Justin
thanking you.
--
Yours Sincerely,
Shankar Prasad Kanaujia
Research Student
C/O - Dr. K. Sekar
Bioinformatics Centre, SERC
Indian Institute of Science, Bangalore-12
Phone - 9480258032
Office - 080-2293-3059
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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