Hi all,
is there any reference regarding the use of gamma_ten=17 as a reliable value
for surface tension?
Because for instance I found out this paper:
http://onlinelibrary.wiley.com/doi/10.1002/jcc.20748/abstract
where they say that for POPC parametrized with the .gaff force field work
pretty well if surface tension is set to 60 mN/m.
I guess however that it depends on the different parametrization performed
by gaff.
Best,
Giovanni
Dr. Giovanni M. Pavan
Laboratory of Applied Mathematics and Physics (LaMFI)
University of Applied Sciences of Southern Switzerland (SUPSI)
Centro Galleria 2, Manno 6928, Switzerland.
e-mail: giovanni.pavan.supsi.ch
web: http://www.dti.supsi.ch/~pavan/
skype: giovanni_pavan
phone: +41 58 666 65 60
-----Messaggio originale-----
Da: Ross Walker [mailto:ross.rosswalker.co.uk]
Inviato: giovedì, 14. giugno 2012 16:09
A: 'AMBER Mailing List'
Oggetto: Re: [AMBER] strange POPC under lipids 11 FF
Hi Albert,
40 is way too much for the surface tension - For POPC try something around
17.
All the best
Ross
> -----Original Message-----
> From: Albert [mailto:mailmd2011.gmail.com]
> Sent: Thursday, June 14, 2012 6:17 AM
> To: AMBER Mailing List
> Subject: [AMBER] strange POPC under lipids 11 FF
>
> hello:
>
> I am testing the POPC membrane under lipids 11 FF with the
> following setup
>
> csurften=3, ninterface=2,gamma_ten=40,
> cut=10.0,
>
> after 20 ns simulation I found that the POPC shrinked a lot ..... Does
> anybody have any idea for this?
>
> thank you very much
> best
> A.
>
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Received on Fri Jun 15 2012 - 01:30:03 PDT
