From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Mon Jul 28 2014 - 10:57:41 CDT
What force field are you using? How long did you simulate? How did you
quantify "conformational changes"? How different is it from "experiment"?
On 07/28/2014 11:19 AM, Bala subramanian wrote:
> I am new to membrane protein simulations. We have simulated a protein in a
> DOPC bilayer at 303K and we found that the level of protein conformational
> changes is not similar to what has been observed in experiments. My PI
> suggested to try higher temperature like 320K to see if we are able to see
> larger changes in the conformation.
> I am looking fwd to hear from any of you with experience in memb-prot
> simulation if such high temperature can be attempted with DOPC bilayer.
> Any information on some relevant literature would be of great help.
> Thank You,
> C. Balasubramanian
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