On 12/17/11, Saba Ferdous saba.bsbi...@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
afsaneh maleki wrote:
On 12/17/11, Saba Ferdous saba.bsbi...@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
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
Many thanks
--
Dear Gromacs Users,
I am simulating a system that consists of a tryptophan linked to a thymine
dimer (two thymine bases stacked together) and am interested in how the
configurational properties of neutral tryptophan linked to neutral thymine
compares with tryptophan cation linked to thymine
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