Hi,
could you try to use the Morse potential for this bond.
As far as I know, the parameters can be directly obatined forml the armonic
potential expression.
Francesco
2012/9/21 Mark Abraham
> On 21/09/2012 11:35 AM, Rajiv Gandhi wrote:
>
>> Dear all gromacs users,
>>
>> In myoglobin system, ho
On 21/09/2012 11:35 AM, Rajiv Gandhi wrote:
Dear all gromacs users,
In myoglobin system, how we can cut the bond between Fe-C to produce the
photodissociation through MD?.
By not making it in your topology. Whatever procedure you follow for
making the other Fe-C interactions needs to differ f
On 9/20/12 9:35 PM, Rajiv Gandhi wrote:
Dear all gromacs users,
In myoglobin system, how we can cut the bond between Fe-C to produce the
photodissociation through MD?.
I have seen there are number of studies over photodissociation and also
I believe that people have used their appropriate par
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