[gmx-users] Coulomb Energies

[Justin A. Lemkul]

afsaneh maleki wrote:
> On 12/17/11, Saba Ferdous <saba.bsbi154 at iiu.edu.pk> 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

-- 
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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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