Dear Sonali,
The problem may happen with you, because you had not given the proper
pressure constraint to protein while running MD simulations. Please again
check your Parameter file once.
On Wed, Mar 31, 2010 at 1:24 PM, Mark Abraham wrote:
> On 31/03/2010 5:48 PM, sonali dhindwal wrote:
>
>> He
On 31/03/2010 5:48 PM, sonali dhindwal wrote:
Hello All,
I have done one MD similation for 1 ns for my protein, having two
ligands and one metal ion with GROMOS96 43a1 force field and
dodecahedron box as tge unit cell.
After simulation when i checked RMSD, it is increasing till 1ns and
observing
Hello All,
I have done one MD similation for 1 ns for my protein, having two ligands and
one metal ion with GROMOS96 43a1 force field and dodecahedron box as tge unit
cell.
After simulation when i checked RMSD, it is increasing till 1ns and observing
the .gro file in VMD, I have seen that, my p
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