[gmx-users] Regarding DispCorr

[bipin singh]

Hello,
Thanks for reply.
As given in the manual, If we give DispCorr=EnerPres it will apply
long range dispersion corrections for Energy and Pressure.
But I don't know whether it is logical to apply this during energy minimization.

On Sun, Feb 19, 2012 at 20:20, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> On 19/02/2012 11:21 PM, bipin singh wrote:
>>
>> Hello,
>>
>> Please let me know, Whether it is correct to use DispCorr=EnerPres
>> during energy minimization.
>>
>
> What does it do?
>
> Mark
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-- 
-----------------------
Regards,
Bipin Singh