[gmx-users] Regarding ffG43a1p force field

[bharat gupta]

Hi Sir,

Actually I am doing the simulation without the chromophore. So, planarity
does not matter to be ..



On Thu, Jun 23, 2011 at 2:23 PM, Ramachandran G <gtrama at gmail.com> wrote:

> 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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>
>
>
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-- 
Bharat
Ph.D. Candidate
Room No. : 7202A, 2nd Floor
Biomolecular Engineering Laboratory
Division of Chemical Engineering and Polymer Science
Pusan National University
Busan -609735
South Korea
Lab phone no. - +82-51-510-3680, +82-51-583-8343
Mobile no. - 010-5818-3680
E-mail : monu46010 at yahoo.com
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