Re: [gmx-users] A beginner's question ...

2013-04-18 Thread Justin Lemkul 



On 4/18/13 7:22 PM, Venkatesh Ramakrishnan wrote:

Dear All

I am new to GROMACS, I have the following question:

What is the difference between "Pres. DC" and "Pressure" in g_energy analysis ?



"Pres. DC" is the correction applied to the pressure term in dispersion 
correction when using "DispCorr = EnerPres."


-Justin

--


Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin


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[gmx-users] A beginner's question ...

2013-04-18 Thread Venkatesh Ramakrishnan 
Dear All

I am new to GROMACS, I have the following question:

What is the difference between "Pres. DC" and "Pressure" in g_energy analysis ?

Thanks in advance

Venkatesh
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