[gmx-users] Energy of part of system

[Beniamino Sciacca]

I use interaction energy to estimate the interaction forces between the 
molecules.... When the course of Potential (or DNA1-DNA2.......) is 
constant, I use these values for estimate interaction forces. So I'm 
using equilibrium value, isn't it?
What can I do? is the file pull.pdo the only other way to estimate the 
forces?
Thanks
Beniamino

Mark Abraham ha scritto:
> Beniamino Sciacca wrote:
>> Ok....
>> another question: I use constraint pull code... is there some problem 
>> in estimating interaction energy?
>
> Only if you want equilibrium values :-)
>
> Mark
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