[gmx-users] Energy of part of system
superbenji83 at gmail.com
Sat Jun 24 09:47:43 CEST 2006
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
Mark Abraham ha scritto:
> Beniamino Sciacca wrote:
>> another question: I use constraint pull code... is there some problem
>> in estimating interaction energy?
> Only if you want equilibrium values :-)
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