Hi Gustavo,
Thank you very much !
Parimal
On Mar 2, 2009, at 12:31 PM, Gustavo Seabra wrote:
> On Mon, Mar 2, 2009 at 11:44 AM, Parimal Kar <pkar.mtu.edu> wrote:
>> Now I want to perform MD. But I don't want to heat the system.
>> How can I assign velocities to each atom without heating the
>> system? Can we really
>> do it in AMBER?
>
> No, and probably not in any other MD program. To perform MD, your
> atoms need velocities, which are related to kinetic energies which are
> related to temperature. You cannot have one without the other.
>
> Gustavo.
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 04 2009 - 01:11:20 PST
