afsaneh maleki wrote:
On 12/17/11, Saba Ferdous <[email protected]> wrote:
Dear Gromacs experts,
I want to ask about coulomb energies. Like if coulomb-SR and coulomb-14
show high RMSD then what should we interpret from such results??
Average Coulomb Energy (kJ/mol)
-1.62657e+06
RMSD
2236.85
Error Estimation
150
Total drift (kJ/mol)
-894.82
This question has already been answered:
http://lists.gromacs.org/pipermail/gmx-users/2011-December/067016.html
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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