Thank you very much Justin.
2015-06-01 18:10 GMT+02:00 Justin Lemkul :
>
>
> On 6/1/15 11:55 AM, Mario Fernández Pendás wrote:
>
>> Dear all,
>>
>> I am interested in simulations with the villin system using the constraint
>> algorithm SHAKE.
>> From the physical point of view, does it make any
On 6/1/15 11:55 AM, Mario Fernández Pendás wrote:
Dear all,
I am interested in simulations with the villin system using the constraint
algorithm SHAKE.
From the physical point of view, does it make any sense to perform a
simulation only with the hydrogen atoms constrained?
Bonds involving
Dear all,
I am interested in simulations with the villin system using the constraint
algorithm SHAKE.
>From the physical point of view, does it make any sense to perform a
simulation only with the hydrogen atoms constrained?
Otherwise, when I try to constraint all the atoms using PBC and domain
d
