If you are using fix deform remap x, then all the atoms in
the box dilate uniformly as the box stretches.
Steve
On Wed, Jun 2, 2010 at 9:44 AM, Mehrdad Arjmand <mehrdad.nano@gmail.com> wrote:
> Thanks for your reply. If I want to know the exact deformation and
> deformation rate of one end atoms, Which one is more accurate?
> What is the difference between them?
>
> On Wed, Jun 2, 2010 at 6:44 PM, Steve Plimpton <sjplimp@gmail.com> wrote:
>>
>> If the remap option on fix deform is set to x (the defuault), then
>> the atoms deform with the box. The velocity command just sets
>> the velocity of some atoms. If you did this to the end atoms,
>> it could be similar to fix deform, but not exactly the same.
>>
>> Steve
>>
>> On Wed, Jun 2, 2010 at 7:09 AM, Mehrdad Arjmand <mehrdad.nano@gmail.com>
>> wrote:
>> > Dear friends,
>> >
>> > I have modeled a CNT and want to put it under tension. I want to ask
>> > you:
>> > Firstly, whether "fix deform" command that changes the box size with a
>> > constant strain rate (e.g. 0.1), changes the nanotube's length with the
>> > same
>> > rate or not.
>> > Secondely, I want to ask you if "velocity" does the same job as "fix
>> > deform".
>> >
>> > Thanks
>> > Mehrdad
>> >
>> >
>> > ------------------------------------------------------------------------------
>> >
>> >
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>> >
>
>