Re: [AMBER] solvent MD - poor equilibration

From: Senthil Natesan <sen.natesan.yahoo.com>
Date: Mon, 17 May 2010 18:33:10 -0700 (PDT)

>It looks completely 'flat' on the bottom edge - did you trim
>the image?

No, I didn't trim the image. There were many regions showing voids that can be seen
while rotating the system. I tried to show one of such voids.

>Probably less NVT would make for less vacuum bubble and easier
>NPT equilibration.

I am trying different combinations of parameters to accommodate all your suggestions.
I will report here once I finished them all.

Thanks,

Senthil Natesan


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Received on Mon May 17 2010 - 19:00:05 PDT
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