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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--
========================================
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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