I want to calculate free energy of 2 different types of 71 amino acids long
protein.
I run General Equilibration (NPT). Then I run free energy calculation of 200
ps.
When calculation start, I got following warming message:
**
WARNING: Listed nonbonded
Dear gmx user,
please give me advice about above calculations. Thanks.
Batsaikhan
On Thursday, October 16, 2014 2:51 PM, Batdorj Batsaikhan
batsaikhan...@yahoo.com wrote:
I want to calculate free energy of 2 different types of 71 amino acids long
protein.
I run General Equilibration
On 10/14/14 11:37 PM, Batdorj Batsaikhan wrote:
Dear gmx-users,
Hello, I am working on free energy calculation of a protein. How long run
should be enough for Free Energy Calculation of a protein?
How is it that you're attempting to calculate this quantity?
-Justin
--
Dear gmx-users,
Hello, I am working on free energy calculation of a protein. How long run
should be enough for Free Energy Calculation of a protein?
Batsaikhan
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