[gmx-users] MD parameters for DPPC bilayer

[Justin A. Lemkul]

Nikit sharan wrote:
> dear users,
> 
> Can anyone send me the Md parameters(.mdp file) for dppc molecule with
> 12lipids and 3655 water molecules that worked without any errors like
> "pressure scaling not more than 1%" and more?It will be very helpful
> as i will check out that with my mdp file.
> 

Your previous .mdp file looked reasonable, except perhaps 2 things you may consider:

1. "nstcheckpoint" does not exist.
2. You could try increasing your cutoff's to, for example, 1.4 nm.

-Justin

> Thanks in advance
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-- 
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Justin A. Lemkul
Graduate Research Assistant
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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