Re: bunch of water molecules

From: sathish kumar gurupatham (sathishguru1_at_gmail.com)
Date: Fri Aug 10 2007 - 13:30:45 CDT

thanks Henin.
take care,
sathish.

On 8/9/07, sathish kumar gurupatham <sathishguru1_at_gmail.com> wrote:
>
> hi all,
> i am simulating a bunch of water molecules at 310k.( to learn namd)
> I am getting a lot of fluctuations during minimisation for angle and bond
> potentials
> but at the end they reduce to zero (suddenly).
> and during equilibration they remain zero through out.
> is right?
> does it mean the molecules do not have angle and bond potentials?
> if yes, how?...am i wrong in simulation?
> please help me learn the basics.
> thanks in advance.
> sathish.
>

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