Hello,
I am trying to calculate the rdf using the center of mass of a sulfonate
group, SO3 with other SO3 groups in the system. The SO3 group is part of a
bigger molecule. Is it appropriate to use
gmx rdf -rdf mol_com to carry out this operation or should I use the
gmx rdf -yescom
In each case
On 10/17/15 5:32 AM, Deva Priya wrote:
Hello,
I am trying to calculate the rdf using the center of mass of a sulfonate
group, SO3 with other SO3 groups in the system. The SO3 group is part of a
bigger molecule. Is it appropriate to use
gmx rdf -rdf mol_com to carry out this operation or shou
Thanks a lot, Justin.
On Sat, Oct 17, 2015 at 8:02 AM, Justin Lemkul wrote:
>
>
> On 10/17/15 5:32 AM, Deva Priya wrote:
>
>> Hello,
>>
>> I am trying to calculate the rdf using the center of mass of a sulfonate
>> group, SO3 with other SO3 groups in the system. The SO3 group is part of a
>> big
