Hello,
In this specific case, I think belly is a better option than adding
restraints for the surface.
Regards
Florent
On Sat, 2 Jan 2016 22:49:56 -0800
Bill Ross <ross.cgl.ucsf.edu> wrote:
> If you're in a hurry to start, I would use a force constant
>comparable
> to that of the bonds - 500 sounds high.
>
> What constant are you using between your ligand and graphene?
>
> Bill
>
> On 1/2/16 10:34 PM, Rasha Alqus wrote:
>> Dear amber users,
>>
>>
>>
>> I am running pmf calculation for my system, where i apply two forces
>>the first one is on to keep my ligand at specific distance from
>>graphene and the other force is applied to graphene ( position
>>restraint)
>>
>> my question is dose using high values of force like 500 on position
>>restrain on graphene effect my calculation.
>>
>>
>>
>> Thank you in advance for the help
>>
>>
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>
>
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-------------------------------------------------
Dr Florent Barbault
Maitre de conferences / Associate professor
Universite Paris Diderot
Laboratoire ITODYS
15 rue Jean de Baïf, bâtiment Lavoisier
75013 Paris FRANCE
http://florentbarbault.wordpress.com/
tel : (33) 01-57-27-68-61
e-mail : florent.barbault.univ-paris-diderot.fr
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Received on Sun Jan 03 2016 - 01:30:03 PST
