[gmx-users] Regarding ffG43a1p force field

[Ramachandran G]

Hi Bharat,
    I used Amber force field, but still i am not statisfied with the
parameters which i used because after some nanosecond simulation(1 -2 ns)
the planarity of the sturcture changes. I tired changing the force constant
but still not much successfull. If you got success please let me know.

with regards,
Rama

On Wed, Jun 22, 2011 at 10:11 PM, bharat gupta <bharat.85.monu at gmail.com>wrote:

> Hi,
>
> I want to simulate a docked complex of my protein (GFP) with
> phosphotyrosine. I have found this - ffG43a1p forcefield contains parameters
> for pTYR, so I want to know how good is this FF for simulating my system...
> As in the literature its mentioned that people have used CHARMM, AMBER, OPLS
> ff for simulation of GFP. So, using this will be a correct choice or not ...
>
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-- 
Postdoctoral Research Scholar,
Department of Chemistry,
University of Nevada, Reno.
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