ZHAO0139 at e.ntu.edu.sg
Fri Oct 1 15:12:42 CEST 2010
Thanks for your answer, I will spend some time to figure it out.
By the way, any links or literature or something relevant to it warmly welcome to introduce them to me.
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Justin A. Lemkul [jalemkul at vt.edu]
Sent: Friday, October 01, 2010 9:06 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] cholesterol
#ZHAO LINA# wrote:
> It will be so bad for me if it really does not exist.
> I wish probably except asking Dr. google, someone else will be able to provide me some links.
> I once just wanted to see some examples how they handled its topology even I got one from
> PRODRG server, but it has problems later. Not so much in those specific simulations yet, just beginning stage.
If your problem is with deriving parameters, then do a thorough literature
search. Simulations with cholesterol have been done with numerous force fields,
so parameterization methodology and/or suitable parameters should be available.
> From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Justin A. Lemkul [jalemkul at vt.edu]
> Sent: Friday, October 01, 2010 8:35 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] cholesterol
> #ZHAO LINA# wrote:
>> Are there some tutorials handling the cholesterol stuff. I read several
>> literature but choked in some places.
> I said this to someone just the other day: if it's not linked at
> http://www.gromacs.org/Documentation/Tutorials or you can't find it with Google,
> it probably doesn't exist.
> What's more, "handling the cholesterol stuff" doesn't really lend itself to
> getting useful help. What are you trying to do? Derive parameters? Build a
> membrane? A micelle? An LDL complex?
>> Thanks with best regards,
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> gmx-users mailing list gmx-users at gromacs.org
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Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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