[gmx-users] FF for membrane protein simulation in water

Justin A. Lemkul jalemkul at vt.edu
Mon Mar 24 11:50:55 CET 2008

Quoting sudheer babu <sudheer.pbm07 at gmail.com>:

> Hi all,
> I want to simulate my protein in water first, later insert into POPC
> bilayer. Could you suggest which force field use protein in water and
> protein in POPC, it should be same or different FF in both cases.
> Pls help me..
> Thanks in advance.

If you want free advice, read what you've already been given, for example my
post from just a few days ago to a nearly identical question (and replies from
others in the same thread):


Other than that, read the literature, see what people are doing, and make a
choice based on what you find.



Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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